data_1v6f_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 1v6f _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 ' 14' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.816 0.341 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.84 162.88 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 m -92.41 126.62 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.89 134.03 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.11 -36.6 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -29.23 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 4.1 tp -92.26 -50.4 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -43.65 -53.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 5.0 pt-20 -43.11 -45.44 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 27.3 mttp -62.66 -47.8 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.04 -47.22 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -53.58 -47.7 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' ARG . 28.9 mmtt -63.51 -40.12 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CE1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.56 -55.54 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -62.59 -46.45 88.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.799 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -93.79 32.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.5 ptm180 -67.09 136.33 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.79 21.28 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.48 176.55 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.1 m -115.02 -37.19 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -68.22 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 4.9 m120 -85.04 -179.99 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.2 159.89 26.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.87 119.62 6.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.86 119.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 HD13 ' CG ' ' A' ' 53' ' ' GLU . 22.3 mt -100.22 149.26 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 39' ' ' ILE . 14.2 mtm -140.38 151.59 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -144.82 163.2 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.03 139.83 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.8 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 t -67.99 118.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.06 164.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.9 tm? -68.8 126.3 29.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 51' ' ' LEU . 12.6 t0 -91.93 -45.11 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 51' ' ' LEU . 5.3 pt-20 -175.14 159.06 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.95 125.05 42.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 10.1 mp -104.96 154.08 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -134.18 144.29 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.18 53.96 5.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 12.5 m -110.84 173.43 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -116.89 158.87 42.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.748 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HB3' ' CD2' ' A' ' 140' ' ' LEU . 53.8 Cg_endo -69.75 -13.89 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.389 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.86 -26.05 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.62 -27.98 15.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.9 tp -58.79 -51.62 69.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -47.34 -29.86 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.04 -39.09 93.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.38 12.29 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 75' ' ' ILE . 17.5 mt -116.76 150.33 45.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.58 45.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.25 18.3 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 -131.06 -36.42 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -118.98 148.14 44.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.81 132.68 23.76 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 14.5 tpp180 -135.45 157.85 45.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 23.2 m-85 -97.98 139.12 34.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.519 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -149.47 125.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.1 t -108.57 99.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 83.4 t80 -101.77 158.44 16.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -132.08 95.26 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 79.1 t80 -68.53 168.46 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.0 tttt -114.79 99.4 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -106.83 93.04 8.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.919 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 121.66 8.36 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.536 HD12 ' CE1' ' A' ' 27' ' ' PHE . 1.1 mm? -77.73 126.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.2 m -131.8 154.59 48.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -105.23 115.49 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.9 mt -102.28 101.98 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -78.61 88.74 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.03 101.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.1 p -124.25 101.32 34.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 128.61 16.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 t -50.73 -26.09 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.46 20.73 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.7 p -99.62 159.62 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.451 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 pttt -92.33 156.59 41.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -42.9 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.294 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.451 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 2.9 tp10 -48.14 -26.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -93.78 -41.21 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 1.6 mm100 -50.8 -37.23 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.4 mtm -63.26 -40.87 98.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.535 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 63.4 ttp -64.95 -56.82 10.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.9 m-85 -66.06 -33.13 75.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -61.4 -63.96 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.68 -33.19 84.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.9 m -71.57 -40.42 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.973 0.416 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.5 ttpt -49.65 -60.66 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.7 -62.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -45.7 -51.2 12.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.9 -55.85 10.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.6 -23.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -89.1 -35.72 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.8 m -67.74 -49.94 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.59 -4.84 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.89 46.29 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.1 mt -90.68 132.91 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.0 p -91.88 -41.39 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 1.9 mppt? -93.48 127.34 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.4 t -133.0 106.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -112.45 152.98 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -129.94 141.9 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 5.6 pt -119.25 136.55 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -76.71 -10.08 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -156.83 131.47 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.4 p -50.23 -31.32 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -41.36 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.06 -40.64 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.43 95.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.2 p -138.77 174.12 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -54.77 -58.98 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 138' ' ' GLU . 1.4 tm-20 -52.38 -57.38 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.561 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 21.6 t90 -51.7 -29.49 18.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -61.94 -62.58 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -58.76 -20.47 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -66.43 -44.77 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.561 ' HE3' ' CZ2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -67.96 -41.27 82.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 54.1 mt -69.03 -28.13 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.88 163.4 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.421 ' CG1' HD13 ' A' ' 117' ' ' LEU . 13.7 m -98.29 118.92 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.16 133.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -52.59 -41.48 63.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -54.39 -41.42 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -75.68 -50.17 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.475 HG11 ' CD ' ' A' ' 25' ' ' ARG . 85.8 t -43.14 -61.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.33 -36.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HD2' ' CD2' ' A' ' 51' ' ' LEU . 17.0 mttp -73.36 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 21' ' ' VAL . 59.4 mt -77.5 -48.49 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.475 ' CD ' HG11 ' A' ' 21' ' ' VAL . 14.6 mtp85 -49.85 -45.92 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' ARG . 20.4 mmtt -61.84 -39.94 93.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.518 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -54.73 6.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -64.8 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 1.8 m-85 -87.99 23.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.2 ptm85 -69.75 150.22 47.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -124.26 38.79 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.01 180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -115.61 -37.53 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -66.36 -177.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.19 172.78 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.69 157.74 34.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.88 118.44 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 51' ' ' LEU . 6.2 mt -109.08 115.2 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 15.0 mt -97.43 139.64 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.0 mtm -127.39 158.37 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 151.61 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 mt -102.77 131.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.07 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.7 m -118.51 161.45 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 39' ' ' ILE . 4.6 tp -80.75 121.09 25.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.478 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.5 t0 -72.47 -54.25 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -166.86 146.48 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.46 133.74 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.1 mt -115.01 107.54 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -99.53 154.95 17.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.35 58.76 4.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 m -120.23 177.72 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -123.48 159.23 56.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.37 -22.7 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -97.36 -33.39 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.91 -46.38 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -54.2 -26.58 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.5 -34.19 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -83.74 14.95 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 44.0 mt -119.2 150.33 48.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.0 46.84 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.48 8.75 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -120.45 -18.66 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -136.58 149.78 68.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 135.65 30.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.319 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -142.13 155.51 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.599 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 21.0 m-85 -98.65 138.46 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.522 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.39 125.67 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.94 99.74 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -99.06 159.88 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.0 t -132.29 95.14 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 140' ' ' LEU . 66.1 t80 -70.24 161.13 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -103.03 101.16 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -106.28 90.3 4.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 122.09 8.77 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -77.76 128.9 34.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.09 154.83 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 4.1 t80 -104.61 107.81 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mt -93.39 101.79 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.55 ' CZ ' ' OG ' ' A' ' 98' ' ' SER . 5.4 t80 -79.26 89.52 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.3 t -71.37 99.74 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.55 ' OG ' ' CZ ' ' A' ' 96' ' ' PHE . 3.7 m -120.24 101.16 47.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.8 Cg_endo -69.74 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 t -40.99 -27.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -80.52 20.74 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -96.53 161.42 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.408 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.9 ptmt -91.35 155.67 44.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.4 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.9 -28.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 10.6 mm100 -93.22 -46.65 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 4.3 mm100 -44.1 -34.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.6 mtm -69.2 -45.18 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.5 ttp -59.84 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -73.49 -39.03 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -51.27 -69.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.58 65.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.0 m -51.92 -38.74 57.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.2 ttpp -51.85 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.0 t-20 -34.35 -50.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -54.72 -53.82 49.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.599 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -47.67 -52.93 16.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.1 t -46.69 -23.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -91.81 -35.11 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.4 m -69.78 -42.69 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.49 -1.97 54.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 58.74 44.43 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.73 138.01 31.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -95.88 -46.73 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -93.79 138.14 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.07 110.56 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.2 m-85 -113.44 152.69 29.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -128.67 143.33 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 3.8 pt -124.17 134.2 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -65.01 -27.26 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -147.41 143.79 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.8 p -56.04 -21.66 23.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.68 -40.2 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' THR . 1.4 m-20 -56.79 -38.04 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 7.4 tp -56.34 84.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' ASP . 62.4 p -128.33 164.92 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -49.98 -54.85 17.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -53.63 -48.96 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.465 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 31.6 t90 -59.46 -35.62 74.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 79' ' ' TYR . 10.9 tp -58.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -54.99 -20.86 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.8 -41.64 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.9 mmmt -71.03 -37.04 72.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.48 -37.0 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.5 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.15 158.61 19.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m -90.15 128.7 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 131.47 45.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.83 -36.9 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -36.33 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -81.72 -52.74 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.471 HG12 ' CG2' ' A' ' 120' ' ' THR . 55.1 t -38.74 -54.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.69 -39.94 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 23.4 mttp -64.59 -50.72 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.17 -40.13 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -54.24 -47.01 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.8 mmtt -64.4 -41.69 96.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.88 -53.63 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -61.79 -48.96 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -94.94 35.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.6 ptm180 -69.75 124.96 25.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -89.76 25.29 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -106.47 170.77 7.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.9 m -108.94 -43.16 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -55.88 179.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -89.29 176.89 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.23 160.61 32.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.88 114.03 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 mt -104.27 117.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.473 HD13 ' CG ' ' A' ' 53' ' ' GLU . 12.8 mt -98.09 141.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.0 mtm -132.96 144.72 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 160.22 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mt -116.69 129.18 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.853 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.56 112.83 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.41 164.77 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.528 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.9 tm? -70.1 122.47 19.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' C ' HD13 ' A' ' 51' ' ' LEU . 9.6 t0 -88.21 -44.75 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.497 ' N ' HD13 ' A' ' 51' ' ' LEU . 9.5 pt-20 -176.07 149.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -111.01 123.34 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.9 mt -108.22 144.41 35.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLY . 69.2 mt-10 -128.61 152.05 48.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.6 57.3 1.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.52 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.48 176.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -123.03 160.84 47.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.62 36.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -93.26 -30.81 14.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -93.83 -25.26 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.5 -53.62 32.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 7.6 pttp -48.87 -32.4 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.01 -33.18 74.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.95 17.57 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 75' ' ' ILE . 17.1 mt -122.97 152.0 62.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 132.07 22.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -101.89 21.32 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -128.83 -32.22 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -124.87 150.93 67.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.79 132.31 23.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -133.54 156.76 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 117' ' ' LEU . 23.0 m-85 -99.2 135.99 39.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.46 HG12 ' CD2' ' A' ' 67' ' ' LEU . 2.9 mp -148.84 130.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.7 t -110.35 99.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -100.34 158.84 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 t -132.98 95.05 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.9 t80 -67.48 170.61 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 61.3 tttt -114.38 104.31 11.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -116.31 93.54 39.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.709 0.766 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.7 7.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.572 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.6 mm? -77.61 124.22 27.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.3 m -129.01 158.8 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.484 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 14.6 t80 -103.78 109.24 20.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.0 mt -96.11 101.27 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.69 91.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.1 p -75.15 97.53 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.1 t -120.27 101.23 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.694 0.759 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 t -50.05 -24.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.3 21.66 4.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.0 p -103.89 160.27 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 156.07 58.94 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.62 -29.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -92.28 -45.89 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.439 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -42.54 -34.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.28 -46.02 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.3 ttp -58.62 -36.14 73.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.437 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 71.7 m-85 -87.59 -40.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -51.61 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.52 52.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.7 m -52.11 -38.54 57.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 13.3 ttpp -51.32 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.8 t-20 -34.88 -62.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -45.01 -48.79 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 74' ' ' PHE . 8.0 mt -52.69 -55.76 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.22 -25.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -88.18 -34.99 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.471 ' CG2' HG12 ' A' ' 21' ' ' VAL . 22.0 m -68.48 -55.24 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.93 -4.0 22.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 58.68 45.78 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.8 mt -93.28 128.61 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.1 p -88.45 -46.19 9.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -90.66 127.01 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -128.86 111.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 5.4 m-85 -114.56 145.91 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 141.25 52.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 11.2 pt -118.85 133.49 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 9.5 ptt-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 10.2 m-20 -147.78 137.4 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.5 p -48.15 -27.8 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.7 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.84 -35.47 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 45.3 tp -59.67 94.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.1 p -139.6 165.87 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.43 -61.1 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -49.34 -40.25 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.57 -45.17 95.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.59 -62.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -53.42 -22.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.36 -47.96 58.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -64.28 -43.27 95.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -39.34 88.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.465 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 5.6 m-20 -106.01 158.9 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -85.98 128.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -63.14 141.23 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.22 -25.56 67.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -83.17 -55.07 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 24' ' ' LEU . 21.4 t -40.1 -59.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.1 pt-20 -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 mttp -64.67 -38.55 91.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' VAL . 80.5 mt -70.9 -44.11 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -53.05 -47.73 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.1 mmtp -60.13 -37.97 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -50.33 -48.27 55.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.59 -44.41 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.47 35.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -79.36 141.8 36.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -109.33 36.41 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.4 mm-40 -109.1 141.39 41.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -78.97 -41.37 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.2 p-80 -63.35 176.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.42 -179.94 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.41 160.55 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 63' ' ' LEU . . . -153.45 123.19 6.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.452 HG21 ' CD2' ' A' ' 51' ' ' LEU . 10.8 mt -114.27 119.5 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.1 mt -101.33 126.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.452 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 13.3 mtm -114.81 147.35 39.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CD ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -147.26 156.29 42.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.8 mt -106.45 144.72 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 10.2 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 11.7 t -68.66 139.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.481 HG22 ' CE ' ' A' ' 41' ' ' LYS . 31.1 m -145.42 164.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 2.8 tm? -85.63 118.75 25.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' CB ' ' HE2' ' A' ' 41' ' ' LYS . 15.5 t0 -77.72 -44.4 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' N ' HD12 ' A' ' 51' ' ' LEU . 13.9 pt-20 -168.12 160.71 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -123.28 125.76 45.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.19 150.23 26.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -130.34 145.86 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.7 51.58 10.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.1 m -106.73 177.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -124.17 161.42 47.42 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.645 0.736 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -17.38 37.84 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.86 -28.91 18.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -95.41 -23.94 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.403 HD11 ' CB ' ' A' ' 37' ' ' ALA . 24.8 tp -62.05 -49.1 77.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.39 -31.82 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.82 -29.13 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -91.45 14.61 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 75' ' ' ILE . 30.1 mt -119.65 149.55 48.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.548 0.69 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.14 39.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.95 20.36 18.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 -33.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -123.31 149.49 57.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 134.61 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -139.32 158.89 43.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 117' ' ' LEU . 21.8 m-85 -98.45 138.97 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 67' ' ' LEU . 3.2 mp -147.85 128.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 53.5 t -112.46 99.94 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -104.61 152.98 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 t -122.99 94.93 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.413 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 64.3 t80 -67.54 162.59 23.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.5 tttt -107.63 98.71 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -105.71 90.21 4.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.688 0.756 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.92 11.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 27' ' ' PHE . 2.7 mm? -77.5 127.35 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 m -129.4 159.81 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.4 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 3.9 t80 -109.5 110.06 21.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.17 103.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -83.7 89.81 7.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 t -70.96 106.32 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -128.4 101.29 21.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 115.38 4.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 130' ' ' ARG . 4.2 t -44.1 -23.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.85 15.82 9.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.2 p -99.8 161.79 13.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.2 155.41 54.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.76 3.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 4.6 tp10 -48.08 -27.21 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.7 mm-40 -92.84 -46.22 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -37.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 mtm -71.54 -34.98 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.566 ' HE3' ' CE1' ' A' ' 110' ' ' TYR . 54.7 ttp -64.23 -35.31 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.566 ' CE1' ' HE3' ' A' ' 109' ' ' MET . 79.4 m-85 -92.69 -32.56 14.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.5 -65.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.45 -49.43 64.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -58.43 -40.84 83.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 12.6 ttpt -48.77 -59.97 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.4 -65.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -44.1 -48.71 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.504 HD12 ' CE2' ' A' ' 74' ' ' PHE . 6.1 mt -50.66 -54.89 19.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.61 -19.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -96.09 -30.75 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 -47.97 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.54 -7.41 56.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 62.27 45.79 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 10.2 mt -95.11 132.86 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.2 p -92.44 -38.94 11.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.23 128.61 39.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.78 108.51 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 3.5 m-85 -114.45 151.06 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -129.39 140.31 51.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.97 137.92 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.542 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 18.2 ptt180 -70.62 -29.86 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.542 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 3.6 m-20 -144.8 139.73 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.6 p -49.62 -27.63 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.1 -33.25 75.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.81 -37.73 77.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.428 ' C ' HD22 ' A' ' 135' ' ' LEU . 1.8 tt -55.23 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.75 165.45 27.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.53 -59.05 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.88 -39.29 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.22 -42.2 99.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 11.9 mt -55.78 -62.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -52.43 -27.73 17.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.35 -46.32 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.5 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.96 -43.07 88.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.56 -39.11 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -94.93 172.46 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.441 ' CG1' HD22 ' A' ' 117' ' ' LEU . 23.9 m -98.3 124.11 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.85 134.02 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -49.05 -45.35 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -27.21 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -54.01 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.449 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.4 t -45.94 -58.91 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -38.55 -40.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.5 mttp -63.98 -53.16 54.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.8 mt -57.23 -38.23 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -55.55 -44.91 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.0 mmtp -67.96 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.69 -53.32 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.5 mmm180 -62.88 -46.01 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.7 33.64 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' LYS . 7.8 ptm180 -72.78 128.52 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -92.92 37.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -114.46 160.82 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -101.91 -34.19 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -69.33 173.51 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.43 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.3 m120 -84.05 175.45 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . . . -160.64 162.74 32.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.53 119.69 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mt -107.53 114.81 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 40' ' ' MET . 26.7 mt -96.31 146.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.452 ' N ' HG22 ' A' ' 39' ' ' ILE . 13.8 mtm -138.51 160.34 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 162.94 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.524 HD12 ' CD1' ' A' ' 110' ' ' TYR . 64.5 mt -108.2 132.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.68 122.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -127.94 155.05 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 2.4 tm? -57.03 128.01 34.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' HD11 ' A' ' 51' ' ' LEU . 11.6 t0 -93.82 -45.64 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' N ' HD11 ' A' ' 51' ' ' LEU . 10.0 pt-20 -175.29 151.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -115.19 129.49 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 mt -113.03 147.9 36.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.46 146.47 52.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 47.11 53.94 10.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 m -114.83 169.68 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -117.15 159.59 40.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.693 0.759 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HB3' ' CD2' ' A' ' 140' ' ' LEU . 53.3 Cg_endo -69.76 -12.91 33.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -95.2 -28.24 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -96.64 -28.18 14.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.48 -46.99 83.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 3.4 pttp -50.42 -36.55 33.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 5.3 t0 -56.6 -36.24 69.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -85.17 20.47 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.5 mt -126.05 148.74 64.17 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 125.54 12.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -95.26 11.87 30.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -121.83 -36.11 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -119.18 147.58 43.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.79 130.48 19.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -133.65 157.1 46.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 23.9 m-85 -98.5 138.24 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.531 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.5 mp -149.74 132.61 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 100.1 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 77.8 t80 -101.13 158.78 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 t -133.01 95.23 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 87.0 t80 -70.55 168.84 15.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 65.2 tttt -111.99 104.99 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -102.87 95.85 6.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.739 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 120.2 7.02 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 27' ' ' PHE . 2.2 mm? -77.44 122.6 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 m -125.54 166.99 15.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' A' ' 123' ' ' LEU . 5.3 t80 -118.02 106.69 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.1 mt -94.2 101.81 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.82 86.53 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 t -64.45 106.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.1 t -132.61 101.26 14.42 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.691 0.757 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.77 26.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 130' ' ' ARG . 3.2 t -53.59 -26.48 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.72 21.1 5.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.1 p -99.05 155.72 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 156.58 51.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.76 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -45.9 -25.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.0 mm100 -93.37 -48.04 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -34.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -30.16 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.493 ' HE2' ' CE2' ' A' ' 110' ' ' TYR . 44.5 ttp -68.46 -34.76 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 66.2 m-85 -94.33 -29.64 14.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.48 -62.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.08 -46.54 69.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -38.14 90.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.895 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 115' ' ' ASN . 9.3 ttpt -49.7 -62.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.1 t-20 -35.47 -58.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -49.5 -50.39 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.464 ' N ' HD21 ' A' ' 117' ' ' LEU . 5.5 mt -49.67 -50.82 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.61 -19.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.02 -34.42 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.449 ' CG2' HG13 ' A' ' 21' ' ' VAL . 41.3 m -67.21 -41.76 85.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.2 -2.42 58.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 56.36 49.69 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 9.6 mt -95.05 136.36 35.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.1 p -95.09 -48.04 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 124.25 33.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.23 109.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 10.4 m-85 -110.06 148.32 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -127.24 127.94 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 14.8 pt -102.12 139.39 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.441 ' NH2' ' OD1' ' A' ' 134' ' ' ASP . 0.0 OUTLIER -77.64 -5.95 52.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -171.53 137.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.8 p -45.83 -34.14 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.8 -39.84 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.441 ' OD1' ' NH2' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -57.65 -39.08 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.9 tp -60.95 92.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 60.2 p -138.88 170.52 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.91 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -49.85 -49.63 48.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.474 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 49.5 t90 -58.14 -37.87 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -53.02 -59.52 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -62.15 -25.5 67.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.97 -48.19 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 6.4 mmmt -64.47 -42.82 95.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.9 mt -69.65 -34.11 73.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.477 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 2.6 m-20 -110.54 172.84 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.5 m -108.76 117.94 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.481 ' CA ' HD11 ' A' ' 48' ' ' LEU . . . -58.7 129.58 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.59 -35.06 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.78 -30.23 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 14.1 tp -87.89 -51.98 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.0 t -42.67 -54.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.95 -41.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.6 mttp -66.06 -53.8 33.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -52.78 -43.71 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -53.38 -46.03 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.9 mmtp -65.28 -42.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.68 -56.87 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 5.6 mmm180 -60.06 -47.8 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.94 35.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.2 ptm180 -69.38 123.44 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 41.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 9.9 mm-40 -122.28 -178.13 3.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.3 m -121.92 -39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.22 169.27 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -73.79 177.7 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.55 154.16 13.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 55' ' ' LEU . . . -152.55 113.89 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -103.3 119.95 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.458 HD12 ' CG ' ' A' ' 53' ' ' GLU . 14.8 mt -98.84 143.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.441 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 15.9 mtm -135.57 161.62 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 173.09 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.5 mt -116.95 133.53 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.864 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.414 ' N ' HD13 ' A' ' 48' ' ' LEU . 19.2 t -71.68 122.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -124.42 166.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.9 tm? -73.82 123.75 24.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' HD11 ' A' ' 51' ' ' LEU . 13.0 t0 -89.2 -44.94 9.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' HD11 ' A' ' 51' ' ' LEU . 5.9 pt-20 -171.96 170.28 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' C ' HD22 ' A' ' 55' ' ' LEU . 7.5 mt-10 -130.16 127.33 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 1.7 mm? -103.08 133.81 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 mt-10 -119.29 143.2 47.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 34.92 52.77 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 m -106.39 176.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 162.95 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.52 33.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.73 -26.5 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -96.7 -27.38 14.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 37' ' ' ALA . 50.3 tp -64.42 -48.61 74.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -53.99 -24.4 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.05 -28.49 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -89.28 13.33 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 75' ' ' ILE . 13.6 mt -120.13 151.24 52.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.41 16.15 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -128.49 -29.34 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -126.17 151.36 71.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.4 Cg_endo -69.77 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -139.21 157.87 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.684 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 19.6 m-30 -98.63 136.59 38.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.475 HD13 ' N ' ' A' ' 75' ' ' ILE . 3.0 mp -149.1 131.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.57 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -102.22 155.85 17.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.2 t -131.23 94.8 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.483 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 75.5 t80 -69.27 169.34 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 58.0 tttt -113.69 107.84 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -103.48 95.25 6.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 120.91 7.62 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.59 122.49 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.12 157.46 41.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -103.14 110.47 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.46 100.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -81.92 93.6 6.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -73.11 98.67 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 p -119.83 100.98 48.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 115.47 4.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.3 t -43.72 -25.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.92 21.15 4.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.4 p -102.62 161.81 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 156.59 51.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -47.68 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.256 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -44.79 -27.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 109' ' ' MET . 9.1 mm100 -91.94 -48.15 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 7.0 mm100 -42.96 -34.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.546 ' HE1' ' CE1' ' A' ' 110' ' ' TYR . 13.4 ttp -62.36 -38.57 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.546 ' CE1' ' HE1' ' A' ' 109' ' ' MET . 90.1 m-85 -90.99 -31.36 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -58.37 -69.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.68 -42.59 85.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -62.7 -40.75 98.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.6 ttpt -47.79 -57.56 5.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.03 -63.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -45.38 -50.72 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.684 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 6.4 mt -50.43 -56.51 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -47.7 -21.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.7 m -67.08 -44.15 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.406 ' CB ' HD11 ' A' ' 123' ' ' LEU . . . -82.04 -4.85 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 61.54 49.66 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 9.4 mt -102.9 132.91 48.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 45.9 p -94.0 -45.43 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -85.13 124.52 31.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.19 113.06 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 7.6 m-85 -116.74 146.2 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -125.99 131.14 52.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.414 HG23 ' CZ2' ' A' ' 139' ' ' TRP . 44.3 pt -104.43 137.96 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -65.19 -30.64 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.45 142.42 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 38.2 p -44.55 -32.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.46 -40.15 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.8 t0 -54.26 -41.03 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.427 ' C ' HD22 ' A' ' 135' ' ' LEU . 1.5 tt -50.04 94.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.8 p -141.86 156.27 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -48.79 -54.78 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 20.1 t90 -62.48 -43.53 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.38 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -50.26 -29.29 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.46 -44.13 95.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 23.2 mt -66.62 -37.66 85.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.508 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.79 170.8 7.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -103.18 121.9 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.77 126.34 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.37 -49.68 53.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -35.08 22.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -82.27 -52.63 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -39.58 -53.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.9 -38.29 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.53 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.4 mttp -67.71 -37.93 82.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 74.7 mt -72.56 -48.54 39.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -50.82 -48.57 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -58.65 -38.05 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.13 -54.13 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.73 -45.48 89.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.79 34.7 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -70.66 122.95 20.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.3 pptp? -89.32 32.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 65.3 mm-40 -113.18 166.71 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -105.42 -43.76 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 12.3 p-80 -54.74 178.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -86.49 178.78 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.09 157.26 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.98 118.77 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -108.15 122.96 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 40' ' ' MET . 39.2 mt -102.02 141.36 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 39' ' ' ILE . 14.8 mtm -133.92 164.23 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 176.45 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.99 133.16 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.857 0.36 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.0 116.36 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.18 169.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HG ' ' CD ' ' A' ' 23' ' ' LYS . 3.4 tm? -75.16 122.85 24.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -86.84 -45.05 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.516 ' N ' HD11 ' A' ' 51' ' ' LEU . 8.4 pt-20 -173.88 170.08 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -135.11 128.0 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.1 mt -113.82 149.77 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' GLY . 34.8 mt-10 -125.67 150.1 47.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.48 60.66 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 m -113.46 174.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -122.75 161.76 42.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.88 -10.69 29.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.641 2.227 . . . . 0.0 112.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -28.17 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -95.29 -24.03 16.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.71 -57.38 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 2.1 pttt -46.54 -37.02 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.476 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -58.49 -34.94 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -89.51 17.36 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD2' HG12 ' A' ' 75' ' ' ILE . 60.4 mt -120.93 150.59 53.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.13 17.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -101.58 21.12 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -129.25 -32.53 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 99' ' ' PRO . 16.1 mt-30 -125.54 151.42 70.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.566 0.698 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -133.26 156.67 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.53 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 19.4 m-30 -97.83 138.01 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.502 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.2 mp -149.37 127.98 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.2 t -109.75 99.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -98.67 158.44 15.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -131.58 95.18 3.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.508 ' CD1' HD22 ' A' ' 140' ' ' LEU . 62.6 t80 -69.78 169.76 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.3 tttt -116.68 97.05 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -113.49 91.96 22.0 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.709 0.766 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 124.07 10.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.8 mm? -77.81 125.72 29.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.52 153.66 47.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -103.79 107.26 18.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.5 101.09 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -81.83 98.53 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.4 t -78.9 95.22 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -114.17 101.07 53.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.679 0.752 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 53.9 Cg_endo -69.78 122.02 8.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 t -49.36 -24.53 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.68 20.7 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 p -104.56 161.93 13.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -85.9 153.37 57.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.715 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -40.93 4.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.73 -27.24 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -93.87 -41.29 9.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -46.81 -36.11 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.1 mtm -72.57 -39.86 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 54.4 ttp -60.5 -41.19 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.632 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.5 m-85 -86.49 -34.61 19.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -57.41 -69.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.24 88.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 m -62.1 -40.64 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.5 ttpt -49.76 -60.77 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -33.82 -56.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -46.81 -53.99 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.53 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.8 -52.85 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 126' ' ' VAL . 83.1 t -44.22 -26.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -90.67 -38.86 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.7 m -65.17 -39.44 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.58 -3.71 59.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 62.23 47.06 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.53 143.34 26.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -107.68 -32.66 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -104.56 126.74 51.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.461 ' CG2' HG11 ' A' ' 118' ' ' VAL . 22.0 t -130.65 117.7 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 14.3 m-85 -121.31 139.34 53.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -118.74 129.48 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.494 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 28.6 pt -106.7 131.83 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 10.4 ptt-85 -63.47 -27.64 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 8.1 m-20 -147.18 144.55 29.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.6 p -53.57 -30.72 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.48 -42.29 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.93 -39.21 62.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.421 ' C ' HD21 ' A' ' 135' ' ' LEU . 1.7 tt -56.73 89.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.2 p -134.68 162.56 31.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -49.24 -55.63 11.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.49 -49.67 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 14.3 t90 -57.68 -37.96 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.508 HD22 ' CD1' ' A' ' 79' ' ' TYR . 17.7 tp -59.76 -64.76 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -55.15 -24.2 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.25 -41.07 94.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.71 -38.25 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.55 -37.77 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.83 0.347 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 3.7 m-20 -100.27 162.68 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.4 m -94.67 120.66 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.38 132.47 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.89 -45.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -54.78 -26.31 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.67 -54.29 4.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.445 HG11 ' CG2' ' A' ' 120' ' ' THR . 41.3 t -40.4 -49.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 6.5 pt-20 -43.94 -42.38 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 36.1 mttt -64.78 -53.4 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.21 -43.09 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -53.68 -44.7 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 31.4 mmtt -68.32 -40.59 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -42.23 -55.77 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -61.25 -47.37 86.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -95.31 35.39 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LYS . 5.3 ptm85 -73.67 122.13 21.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -89.2 37.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -117.58 150.5 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -86.21 -46.45 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -55.47 178.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 1.5 m120 -91.35 -179.49 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.76 157.91 27.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.51 115.34 5.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mt -105.87 119.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.468 HD13 ' CG ' ' A' ' 53' ' ' GLU . 15.6 mt -99.4 140.72 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.9 mtm -129.86 167.98 17.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.25 169.75 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.7 mt -114.64 131.16 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.821 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 8.0 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 t -70.84 106.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.28 158.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 51' ' ' LEU . 3.2 tm? -64.95 129.21 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -91.49 -46.35 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.468 ' CG ' HD13 ' A' ' 39' ' ' ILE . 11.0 pt-20 -173.83 163.71 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -121.22 124.38 44.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 47.9 mt -109.7 131.36 55.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' GLY . 15.1 mp0 -117.31 155.11 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.82 59.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.2 m -116.43 175.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -126.15 161.44 51.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.46 ' O ' ' CD2' ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.79 -10.35 28.32 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -33.07 12.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -91.66 -32.68 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 55' ' ' LEU . 23.0 tp -53.94 -53.05 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 2.6 pttt -51.05 -33.77 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 7.2 t0 -62.71 -32.83 74.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -86.52 18.85 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 75' ' ' ILE . 19.4 mt -124.3 152.07 67.25 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.583 0.706 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 137.54 35.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.363 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.69 12.68 30.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.87 -30.8 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -126.85 151.23 73.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.78 43.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -142.36 157.71 44.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CD2' HD12 ' A' ' 117' ' ' LEU . 20.2 m-85 -98.71 139.43 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.47 HG12 ' CD2' ' A' ' 67' ' ' LEU . 3.1 mp -148.64 135.64 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.9 t -119.62 99.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 75.4 t80 -103.69 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.1 t -131.48 94.66 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CD1' HD22 ' A' ' 140' ' ' LEU . 57.2 t80 -66.03 169.79 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 62.3 tttt -114.92 97.33 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -109.97 94.73 18.35 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.698 0.761 . . . . 0.0 110.885 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.26 9.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 27' ' ' PHE . 3.3 mm? -77.43 124.89 28.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.8 m -130.56 158.69 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 4.6 t80 -106.52 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -102.89 100.93 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -82.06 96.1 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.8 t -72.39 96.07 1.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.0 p -116.29 101.13 53.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.9 13.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 130' ' ' ARG . 11.9 t -48.27 -28.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.89 24.07 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.5 p -100.32 161.22 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.408 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.0 ptmt -96.02 156.33 37.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.48 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.46 -29.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 25.6 mm-40 -92.47 -40.1 11.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 6.1 mm100 -50.01 -37.09 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -69.17 -39.96 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.574 ' HE3' ' CE2' ' A' ' 110' ' ' TYR . 44.2 ttp -61.43 -47.6 85.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.574 ' CE2' ' HE3' ' A' ' 109' ' ' MET . 86.8 m-85 -79.97 -32.6 39.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -58.06 -66.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.61 93.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 m -61.59 -42.39 98.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 12.3 ttpt -47.22 -57.62 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -35.03 -66.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -40.33 -48.01 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 74' ' ' PHE . 8.4 mt -53.75 -53.49 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.18 -17.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -95.22 -34.78 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.445 ' CG2' HG11 ' A' ' 21' ' ' VAL . 26.8 m -70.22 -42.57 72.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.96 -2.22 56.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 57.8 52.83 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 4.9 mt -103.98 132.28 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.1 p -95.65 -37.03 11.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -89.34 129.36 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.17 113.1 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.9 m-85 -121.74 140.69 52.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.66 134.09 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 32.5 pt -108.42 129.97 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.417 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 24.6 ptt180 -69.35 -17.3 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -149.97 129.78 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.9 p -45.15 -30.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.581 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.3 t0 -46.01 -44.71 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 60' ' ' PRO . 2.2 tt -53.02 96.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.5 p -142.9 157.93 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -44.23 -52.76 7.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.96 -55.61 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.581 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 39.0 t90 -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 79' ' ' TYR . 10.9 tp -53.46 -61.64 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -55.77 -26.65 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -64.86 -43.61 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.67 -38.0 73.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.25 -34.94 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.3 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.434 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 4.7 m-20 -108.09 168.1 9.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.3 m -98.97 124.4 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -64.39 127.5 31.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.13 -38.97 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.49 -30.48 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp -85.63 -53.88 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -41.29 -51.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.8 pt-20 -43.76 -44.39 6.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 43.9 mttt -62.92 -56.49 16.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -49.79 -44.44 49.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 33.2 mtm180 -53.91 -44.07 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ARG . 19.2 mmtm -65.76 -46.31 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.601 ' CG ' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.08 -51.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -63.46 -48.28 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.6 m-85 -97.89 36.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.4 ptm85 -75.91 127.78 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.42 35.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.8 mm-40 -121.63 146.47 46.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.5 m -89.48 -37.74 14.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 2.7 p-80 -58.24 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -96.63 179.62 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.571 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -164.65 170.06 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.67 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.06 122.62 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 HD12 ' CG ' ' A' ' 53' ' ' GLU . 14.6 mt -102.93 145.91 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.4 mtm -137.68 145.06 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 162.94 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.88 138.41 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.4 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 27.5 t -70.95 119.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.46 161.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 53' ' ' GLU . 2.6 tm? -71.87 123.45 22.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -86.56 -45.94 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' N ' HD13 ' A' ' 51' ' ' LEU . 13.5 pt-20 -173.74 163.11 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.426 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 6.4 mt-10 -123.54 126.91 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 mt -111.72 131.13 55.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -114.57 153.96 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.22 60.27 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.4 m -117.23 178.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -129.35 162.1 54.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -94.93 -31.31 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -93.35 -29.75 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.95 -54.1 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -51.4 -28.48 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.53 -29.14 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -90.88 10.66 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 39.4 mt -115.59 150.96 45.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 133.21 24.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -103.16 18.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -128.65 -31.12 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -124.23 148.01 56.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 54.3 Cg_endo -69.74 129.5 17.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -133.09 157.26 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 20.8 m-85 -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.483 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.3 mp -148.69 129.41 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.3 100.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -94.28 144.9 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.59 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 47.8 t -112.03 94.66 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 67.8 t80 -79.63 169.55 17.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.61 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 59.9 tttt -112.19 127.21 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -109.84 87.78 6.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.671 0.748 . . . . 0.0 110.923 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 109.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.601 ' CD2' ' CG ' ' A' ' 27' ' ' PHE . 7.6 mp -78.22 124.6 28.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.69 158.36 28.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.464 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 18.0 t80 -96.82 110.98 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.9 mt -101.01 101.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -82.77 93.29 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.4 p -69.9 94.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -114.15 101.85 54.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.79 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 102' ' ' CYS . 33.5 m -39.39 -36.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -78.61 27.94 2.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' PRO . 14.8 p -94.8 161.99 13.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.451 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.6 ptmt -95.85 155.43 38.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.547 0.689 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.15 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.761 2.307 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -40.83 -30.8 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.451 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 29.4 mm-40 -92.45 -48.42 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 4.1 mm100 -42.73 -32.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.77 -53.33 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.0 ttp -55.17 -44.66 75.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 68.9 m-85 -75.42 -44.97 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -49.95 -69.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.17 -56.6 18.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.3 m -49.08 -41.66 36.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.396 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.464 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 11.8 ttpt -48.95 -59.45 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.92 -65.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -44.46 -49.29 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 117' ' ' LEU . 5.7 mt -50.29 -50.97 48.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 71.3 t -52.87 -20.09 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -94.04 -34.45 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 55.0 m -67.39 -44.32 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.404 ' CB ' HD11 ' A' ' 123' ' ' LEU . . . -84.68 -2.45 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 56.47 48.52 16.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.404 HD11 ' CB ' ' A' ' 121' ' ' ALA . 8.6 mt -99.04 132.7 44.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.2 p -92.3 -46.2 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.6 mppt? -82.91 123.25 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -130.81 108.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -113.63 148.07 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -129.38 130.32 45.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 pt -104.63 134.38 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 9.7 ptt-85 -68.95 -29.1 67.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 4.0 m-20 -144.82 138.46 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.7 p -46.87 -35.74 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.23 -36.12 68.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.478 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.59 -41.94 74.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 135' ' ' LEU . 1.8 tt -52.78 95.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 72.7 p -142.26 160.33 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.73 -56.28 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.11 -40.77 67.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.478 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 41.7 t90 -60.95 -42.73 98.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 79' ' ' TYR . 11.4 mt -53.94 -70.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -45.14 -29.6 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -63.57 -45.92 88.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.19 -41.48 73.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.1 -37.23 85.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.809 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.7 m-20 -113.16 172.46 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.406 HG23 ' CG2' ' A' ' 21' ' ' VAL . 35.5 m -106.43 130.64 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.475 ' CA ' HD11 ' A' ' 48' ' ' LEU . . . -72.69 136.91 45.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -50.67 -47.4 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.34 -21.74 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 1.6 tt -91.35 -54.1 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' CG2' HG23 ' A' ' 16' ' ' VAL . 19.4 t -44.59 -54.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -44.38 -41.77 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.492 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 3.4 mtpp -63.13 -48.49 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 121' ' ' ALA . 83.7 mt -56.07 -44.31 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -56.18 -47.88 77.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.5 mmtt -62.82 -37.91 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.88 -49.99 37.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 92' ' ' LEU . 1.1 mmp_? -66.51 -46.0 77.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -95.4 30.93 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.4 ptm180 -69.93 122.52 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -87.46 37.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.67 152.1 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 m -92.17 -40.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -63.0 175.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.454 ' ND2' ' HH ' ' A' ' 77' ' ' TYR . 5.7 m120 -81.61 178.97 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.86 159.97 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.33 121.69 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.5 mt -110.26 114.04 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 40' ' ' MET . 17.7 mt -92.28 144.26 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.4 mtm -137.02 147.17 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.28 169.81 16.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -112.59 136.21 49.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.847 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.475 HD11 ' CA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.404 ' N ' HD13 ' A' ' 48' ' ' LEU . 18.6 t -71.34 116.22 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.84 154.4 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.492 ' HG ' ' CD ' ' A' ' 23' ' ' LYS . 3.0 tm? -58.58 130.95 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -98.26 -43.43 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' CG ' ' CD1' ' A' ' 39' ' ' ILE . 14.2 pt-20 -174.31 154.53 2.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.81 120.38 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 9.2 mp -103.31 123.19 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -107.39 150.04 27.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.19 58.88 1.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 14.6 m -115.68 168.32 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -112.12 162.04 23.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HB3' ' CD1' ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.8 -17.48 37.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.37 -18.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.52 -26.96 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.83 -55.45 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -44.94 -33.46 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.1 14.16 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' CD2' HG12 ' A' ' 75' ' ' ILE . 42.7 mt -119.05 152.26 51.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.44 27.96 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -103.81 20.95 17.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -134.75 -34.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -118.3 147.44 41.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.54 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.75 131.95 22.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' C ' HD11 ' A' ' 75' ' ' ILE . 12.8 tpp180 -135.43 157.63 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CD2' HD13 ' A' ' 117' ' ' LEU . 22.4 m-85 -99.99 133.37 44.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 1.1 mp -147.61 131.12 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -112.51 100.06 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.454 ' HH ' ' ND2' ' A' ' 35' ' ' ASN . 68.9 t80 -98.89 155.62 17.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.2 t -125.77 95.02 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 49.4 t80 -63.28 170.44 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 66.0 tttt -116.94 91.66 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.945 0.402 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -118.96 92.42 45.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.94 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 126.06 12.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.504 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.0 mm? -77.4 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.5 m -130.88 148.43 52.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -99.64 109.44 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.426 HD11 ' CD1' ' A' ' 135' ' ' LEU . 51.5 mt -95.63 101.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.59 89.39 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.3 t -71.58 102.32 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.8 p -126.61 101.28 27.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 102' ' ' CYS . 54.3 Cg_endo -69.69 115.19 3.97 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 130' ' ' ARG . 6.3 t -42.96 -25.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 16.3 8.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' PRO . 12.4 p -97.25 161.57 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 156.03 52.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.558 0.694 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.9 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -43.54 -28.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.484 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 25.2 mm-40 -92.42 -44.73 8.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 5.0 mm100 -45.75 -33.08 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.3 mtm -72.88 -36.88 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.556 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 56.2 ttp -64.68 -44.04 91.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 86.4 m-85 -82.59 -41.04 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -47.27 -69.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.49 -55.68 28.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 m -47.13 -37.3 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' ASN . 14.6 ttpt -52.4 -56.94 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.4 t-20 -34.92 -63.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -45.38 -49.8 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 74' ' ' PHE . 5.6 mt -49.76 -55.58 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.93 -20.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.72 -33.56 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 74.6 m -71.63 -37.73 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.435 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . . . -88.89 -5.59 57.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 58.23 53.95 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 13.2 mt -105.82 138.34 42.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.8 p -99.82 -35.06 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.71 120.83 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.46 107.61 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 8.1 m-85 -112.56 150.87 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -129.16 140.95 51.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.9 pt -117.99 134.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.574 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 16.3 ptt180 -62.98 -32.65 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.574 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 5.8 m-20 -147.41 144.96 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.5 p -49.15 -29.97 6.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.86 -41.71 87.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -37.8 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.426 ' CD1' HD11 ' A' ' 95' ' ' ILE . 59.4 tp -57.07 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.5 p -141.45 165.16 28.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.17 -59.38 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.9 -41.8 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -59.94 -42.2 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 79' ' ' TYR . 11.4 mt -55.63 -61.82 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -52.54 -21.87 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.77 -43.5 62.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.14 -41.42 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.4 mt -71.02 -37.28 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.444 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -100.73 172.27 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -103.08 119.81 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -57.36 123.91 17.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.32 -36.27 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.34 74.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 2.4 tp -83.45 -53.38 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 HG12 ' CG2' ' A' ' 120' ' ' THR . 40.5 t -39.78 -49.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.0 pt-20 -43.73 -43.32 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 34.9 mttp -66.82 -51.19 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.4 mt -53.42 -45.32 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -53.55 -47.57 69.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 30.3 mmtt -64.84 -42.35 94.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -39.78 -54.55 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -58.83 -48.69 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -98.01 36.55 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.5 ptm85 -73.17 123.94 24.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -86.01 38.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 10.6 mm-40 -119.22 149.78 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.2 m -91.17 -44.48 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.3 p-80 -54.45 176.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.56 174.51 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.05 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 55' ' ' LEU . . . -153.2 115.64 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.7 mt -104.43 125.17 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 40' ' ' MET . 18.1 mt -103.61 147.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.466 ' N ' HG21 ' A' ' 39' ' ' ILE . 13.5 mtm -137.6 153.65 49.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 164.75 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.7 mt -119.57 134.61 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.2 tp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 46.2 t -69.36 118.47 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.8 159.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 53' ' ' GLU . 2.9 tm? -68.27 131.96 46.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -100.75 -44.76 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.494 ' N ' HD12 ' A' ' 51' ' ' LEU . 9.1 pt-20 -171.87 166.67 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.7 mt-10 -127.92 132.0 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 58' ' ' VAL . 3.3 mm? -105.73 134.75 48.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' GLY . 46.8 mt-10 -120.02 142.43 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.38 49.54 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 55' ' ' LEU . 10.9 m -103.05 179.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -127.38 162.12 50.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.21 -27.27 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -97.19 -31.11 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.37 -52.87 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -49.23 -23.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.17 -32.88 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -84.43 14.14 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.4 mt -122.84 151.54 61.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.24 53.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.57 9.94 23.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 25.5 mtm105 -121.17 -25.88 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -130.13 152.39 80.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 141.91 46.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -143.78 156.88 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 22.3 m-85 -98.26 138.83 34.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -149.35 131.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.5 99.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -101.58 158.07 16.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t -131.46 94.55 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CD1' HD21 ' A' ' 140' ' ' LEU . 56.8 t80 -68.25 169.64 10.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 64.9 tttt -115.17 100.58 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 94.41 7.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.35 10.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 27' ' ' PHE . 3.1 mm? -77.36 122.76 25.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.3 m -127.82 153.85 46.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.446 ' HB2' ' CD1' ' A' ' 123' ' ' LEU . 4.5 t80 -102.34 109.32 20.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.09 100.93 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.13 92.68 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.0 t -78.43 102.94 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -122.93 101.22 39.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.5 4.12 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.8 t -43.92 -26.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 22.51 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.06 161.81 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 157.37 58.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -44.8 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -47.56 -25.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -93.98 -40.83 9.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -37.3 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -73.34 -43.55 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.536 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 59.6 ttp -56.63 -33.89 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 64.0 m-85 -93.77 -37.08 11.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.92 -69.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.08 -50.75 57.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 m -54.5 -41.19 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.3 ttpt -47.84 -61.13 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.24 -58.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -49.31 -53.68 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.538 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.63 -55.32 11.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 126' ' ' VAL . 79.7 t -45.41 -27.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -89.09 -38.82 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.467 ' CG2' HG12 ' A' ' 21' ' ' VAL . 17.8 m -65.31 -45.21 85.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.97 -1.76 45.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 57.5 48.83 13.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 7.5 mt -98.06 129.42 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.0 p -90.94 -46.93 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -89.36 128.74 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' A' ' 118' ' ' VAL . 79.7 t -129.46 112.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.5 m-85 -116.53 140.71 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -120.83 139.75 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.51 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 22.9 pt -117.36 136.06 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.534 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 20.3 ptt180 -64.9 -32.26 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.534 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 4.6 m-20 -146.64 140.86 26.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -45.03 -33.43 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -54.42 -41.3 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -40.73 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 135' ' ' LEU . 0.3 OUTLIER -56.31 89.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 82.7 p -136.85 163.59 30.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -49.08 -58.1 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -54.07 -51.16 64.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.7 t90 -54.72 -41.48 70.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 79' ' ' TYR . 11.7 tp -54.21 -65.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -53.65 -27.46 27.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -62.6 -42.66 99.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.9 mmmt -69.66 -39.11 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.7 mt -71.9 -33.99 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.453 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 12.6 m-20 -95.64 163.93 12.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.5 m -96.12 122.49 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.93 133.41 56.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -49.14 -45.11 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -23.87 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' HD22 ' A' ' 20' ' ' LEU . 1.3 tt -86.15 -55.14 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' LEU . 12.2 t -45.4 -59.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -37.82 -39.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 20.3 mttp -68.75 -42.65 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 21' ' ' VAL . 53.1 mt -62.62 -53.14 59.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -47.9 -50.91 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' ARG . 14.9 mmtt -61.68 -37.05 82.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -49.29 -55.16 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -63.33 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -95.37 30.2 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.0 ptm85 -66.77 125.22 25.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -93.5 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' A' ' 30' ' ' ARG . 48.3 mt-10 -117.21 177.96 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -115.89 -35.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 32' ' ' GLU . 7.7 p-80 -70.62 176.51 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.439 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.5 m120 -84.87 177.23 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.68 161.68 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.89 120.96 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.39 114.38 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.479 ' CD1' ' CG ' ' A' ' 53' ' ' GLU . 47.1 mt -94.28 146.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.4 mtm -140.79 159.13 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HZ1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -157.78 170.48 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.36 135.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 9.1 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 t -67.84 114.93 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 m -122.57 160.38 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 53' ' ' GLU . 1.9 tm? -64.86 127.33 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 14.7 t0 -91.78 -47.25 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.505 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.1 pt-20 -171.51 144.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -111.67 123.7 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -122.7 151.04 41.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.68 48.67 28.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.57 176.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.14 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -125.03 161.43 49.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.83 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -15.42 37.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -94.75 -25.89 16.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.19 -24.56 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.54 -51.75 53.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -48.51 -27.98 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.5 -35.93 82.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.26 14.72 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 75' ' ' ILE . 16.2 mt -118.29 149.77 46.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 127.91 15.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -94.92 7.8 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -123.17 -34.04 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -115.87 143.14 30.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.76 126.23 13.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -129.14 158.01 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 110' ' ' TYR . 23.2 m-85 -98.18 139.91 33.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -148.57 146.18 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.495 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 54.4 t -130.85 99.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 82.9 t80 -101.46 154.48 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.5 t -126.34 95.04 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.543 ' CD1' HD21 ' A' ' 140' ' ' LEU . 64.0 t80 -67.43 169.8 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.5 tttt -115.12 99.4 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -105.1 92.92 5.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 121.16 7.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.314 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.78 123.85 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.5 m -126.11 159.22 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.416 ' HB2' ' CD1' ' A' ' 123' ' ' LEU . 6.4 t80 -106.49 117.34 33.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.1 mt -107.37 101.8 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.28 91.6 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.445 ' CB ' HD12 ' A' ' 75' ' ' ILE . 46.7 t -69.98 101.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -127.96 102.27 22.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.13 15.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.338 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.8 m -48.45 -32.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.25 2.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.07 158.13 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -86.68 155.39 56.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.47 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -41.26 -30.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.6 mm-40 -88.36 -51.05 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.33 -33.42 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -83.87 -27.67 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.476 ' N ' ' O ' ' A' ' 106' ' ' GLN . 37.4 ttp -68.63 -42.3 78.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 57.2 m-85 -83.38 -48.11 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -38.49 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.0 -46.23 9.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -68.01 -25.7 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.7 ttpp -60.08 -58.55 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -35.34 -63.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -50.1 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.16 -51.21 45.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.33 -19.52 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.39 -34.12 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.1 m -70.58 -53.15 17.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -73.44 -6.45 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 58.16 53.49 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -95.48 144.65 25.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.19 -34.18 7.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -103.58 118.27 36.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.38 110.44 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 8.6 m-85 -112.6 154.5 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -130.9 142.86 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.494 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 21.0 pt -117.49 138.2 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -70.06 -26.12 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -153.49 134.34 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 56.2 p -40.53 -29.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.74 -44.89 90.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -52.16 -36.95 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.33 87.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.6 p -130.84 178.18 6.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.4 -62.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -51.5 -56.68 12.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 41.9 t90 -47.69 -33.63 7.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 79' ' ' TYR . 13.8 tp -64.34 -61.8 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -58.38 -17.8 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.92 -41.13 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.506 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.22 -38.41 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 72.5 mt -74.07 -31.44 62.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.88 160.0 18.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG23 ' CG2' ' A' ' 21' ' ' VAL . 32.7 m -92.97 119.38 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 141.65 57.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.3 -46.2 72.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.92 -31.22 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 10.5 tp -85.01 -52.98 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG2' HG23 ' A' ' 16' ' ' VAL . 29.7 t -44.77 -52.06 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.9 pt-20 -42.61 -44.28 4.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 33.1 mttt -65.01 -53.89 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.2 mt -51.27 -45.47 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -52.7 -46.47 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' ARG . 21.3 mmtm -64.32 -42.06 96.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.4 -49.52 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.47 -50.26 68.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.93 36.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' NH2' ' CD ' ' A' ' 32' ' ' GLU . 4.3 ptm85 -74.55 125.42 28.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -89.66 39.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.49 ' CD ' ' NH2' ' A' ' 30' ' ' ARG . 10.6 mt-10 -118.47 146.3 44.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.9 m -87.02 -39.7 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -60.48 179.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -89.06 175.12 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.45 160.74 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.95 116.82 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.1 mt -105.32 119.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.413 HD11 ' CG ' ' A' ' 53' ' ' GLU . 15.6 mt -97.51 140.86 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.455 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 15.0 mtm -136.31 133.79 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -124.5 173.66 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 54.9 mt -118.03 136.98 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.896 0.379 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.95 121.1 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.66 158.04 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 2.4 tm? -71.8 129.78 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' C ' HD13 ' A' ' 51' ' ' LEU . 11.8 t0 -93.97 -47.1 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.3 pt-20 -168.35 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.3 mt-10 -124.5 116.39 22.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 9.4 mp -96.29 124.25 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' GLY . 41.3 mt-10 -110.7 151.79 27.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.77 58.33 1.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 14.2 m -112.6 179.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 p -124.37 157.9 63.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.687 0.756 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.79 -13.19 34.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.97 -28.76 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.37 -33.06 15.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.07 -50.57 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -49.9 -26.96 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.08 -31.12 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -86.96 12.78 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 33.0 mt -117.38 150.3 46.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.714 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -106.06 11.75 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -123.27 -24.24 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -133.22 149.37 72.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.659 0.743 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.7 137.12 34.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 tpp180 -137.63 156.66 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.53 ' CE2' HD11 ' A' ' 117' ' ' LEU . 23.8 m-85 -98.12 135.3 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 67' ' ' LEU . 3.3 mp -148.46 138.91 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 61.1 t -122.35 99.67 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -103.2 153.84 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -125.75 94.93 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 62.1 t80 -64.54 169.81 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.8 tttt -115.18 104.2 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.928 0.394 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -110.84 89.47 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.958 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.17 9.84 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.5 mm? -77.32 125.38 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.8 m -130.97 148.75 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -94.75 113.87 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.2 mt -98.88 101.16 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.12 91.32 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.2 t -72.34 106.38 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -127.33 101.23 25.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.18 22.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 101' ' ' GLY . 35.3 m -51.84 -33.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 100' ' ' VAL . . . -78.62 28.08 2.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' A' ' 100' ' ' VAL . 6.6 p -99.9 156.86 16.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 157.42 40.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.539 0.685 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.98 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.65 -28.32 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -93.78 -45.92 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -45.94 -42.49 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.3 mtm -63.51 -38.79 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 ttp -62.46 -57.21 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.46 ' CD1' ' HG2' ' A' ' 72' ' ' PRO . 80.9 m-85 -68.0 -34.86 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.04 -67.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.02 76.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.1 m -56.15 -43.42 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.4 ttpt -45.84 -56.83 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.5 t-20 -35.17 -61.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -47.99 -49.15 31.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.53 HD11 ' CE2' ' A' ' 74' ' ' PHE . 7.1 mt -51.42 -56.68 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.84 -21.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -91.62 -35.51 14.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.8 m -67.33 -46.58 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.94 -2.26 46.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.12 50.99 14.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.2 mt -97.91 127.01 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.0 p -87.68 -45.66 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -86.13 120.47 27.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -123.12 113.02 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 4.3 m-85 -115.21 139.97 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -121.26 140.57 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.9 pt -120.63 128.5 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 131' ' ' ASN . 1.4 ppt_? -80.09 9.85 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -171.75 121.69 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -43.76 -36.46 2.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.57 -40.88 69.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.456 ' OD2' ' CD1' ' A' ' 139' ' ' TRP . 2.2 t70 -53.75 -35.88 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.9 tp -60.76 91.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 64.6 p -140.55 167.56 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.55 -59.65 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.44 -43.13 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.456 ' CD1' ' OD2' ' A' ' 134' ' ' ASP . 65.5 t90 -58.47 -47.25 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 60' ' ' PRO . 11.6 mt -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -54.66 -29.13 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.63 -47.15 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -44.35 88.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.08 -36.85 80.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.7 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.18 162.26 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.1 m -99.48 122.96 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.463 ' CB ' HD23 ' A' ' 48' ' ' LEU . . . -69.02 122.3 18.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.64 -47.7 10.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -46.64 6.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 1.9 tp -79.57 -51.62 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -41.45 -48.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -46.73 -41.34 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 38.0 mttt -60.64 -52.59 64.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.7 mt -54.79 -46.92 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -55.11 -35.39 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ARG . 52.9 mmtt -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 78' ' ' SER . 0.1 OUTLIER -39.2 -55.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -59.82 -46.83 88.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -97.19 32.48 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.2 ptm85 -67.94 125.69 27.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -83.59 40.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -125.45 179.04 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 34' ' ' HIS . 13.7 t -122.68 -24.94 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.468 ' N ' HG23 ' A' ' 33' ' ' THR . 14.2 p-80 -75.04 173.81 10.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -84.07 178.29 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . . . -165.84 168.92 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.34 127.32 9.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.6 mt -115.06 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 40' ' ' MET . 23.1 mt -98.91 142.83 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.447 ' N ' HG23 ' A' ' 39' ' ' ILE . 15.3 mtm -132.92 157.09 45.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.48 156.09 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.8 mt -100.32 131.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.81 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 17' ' ' ALA . 1.3 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.849 0.357 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.22 112.44 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.8 m -119.47 167.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 ' N ' ' A' ' 53' ' ' GLU . 2.7 tm? -79.58 127.47 32.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' C ' HD13 ' A' ' 51' ' ' LEU . 5.8 t0 -93.06 -44.95 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' N ' HD13 ' A' ' 51' ' ' LEU . 7.7 pt-20 -168.27 173.0 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.8 mt-10 -140.12 117.06 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 10.9 mp -99.36 135.21 41.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -115.27 152.66 32.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.05 59.34 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 23.2 m -116.26 176.97 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -123.1 159.01 56.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -13.91 35.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.06 -26.48 16.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.97 -31.08 12.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.19 -47.7 84.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -51.66 -25.82 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.81 -36.41 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -81.58 15.08 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.6 mt -119.51 150.38 49.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.54 35.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -106.15 15.4 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.02 -30.74 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -121.54 146.0 44.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -133.78 157.46 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.3 m-85 -98.24 136.98 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.5 mp -148.8 135.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.11 100.08 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -97.67 138.4 35.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.587 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 13.7 t -103.88 94.96 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' HD21 ' A' ' 140' ' ' LEU . 89.7 t80 -75.35 169.26 18.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 50.9 tttt -112.76 106.0 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.5 t80 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 1.4 m-85 -106.14 88.74 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 113.25 3.3 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.379 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.574 ' CD2' ' CG ' ' A' ' 27' ' ' PHE . 6.8 mp -79.86 125.21 29.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.1 m -124.25 152.59 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.447 ' HB2' ' CD1' ' A' ' 123' ' ' LEU . 13.3 t80 -93.66 115.05 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.01 101.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.75 93.73 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.421 ' HA ' ' CG1' ' A' ' 129' ' ' ILE . 4.4 t -74.35 103.36 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.8 p -124.94 101.26 32.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 125.61 12.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.326 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.1 t -47.82 -26.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.31 20.92 5.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.4 p -100.39 160.42 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -91.63 157.04 42.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -49.04 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.47 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.6 tp10 -42.64 -25.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -92.94 -49.05 6.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 2.2 mm100 -46.17 -28.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.2 mtm -74.71 -47.36 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ttp -60.14 -36.7 78.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -85.39 -45.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -46.3 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.31 -56.95 14.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -48.14 -38.46 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.9 ttpt -54.26 -55.57 26.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.02 -63.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.99 -51.97 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 117' ' ' LEU . 5.6 mt -47.72 -54.54 11.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.4 t -49.68 -21.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -95.75 -34.6 11.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.1 m -69.75 -41.83 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.12 -4.24 58.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 57.86 46.13 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 9.3 mt -95.1 126.24 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -88.29 -39.39 14.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.1 mppt? -94.74 123.14 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.71 114.51 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -117.15 138.45 51.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -118.24 129.4 55.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.469 HG21 ' CZ2' ' A' ' 139' ' ' TRP . 13.8 pt -105.91 134.92 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -80.56 4.86 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -172.54 129.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 29.5 p -47.57 -30.67 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.89 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.51 -37.43 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 28.8 tp -59.63 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.7 p -137.4 171.3 14.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.44 -60.64 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.95 -48.49 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.469 ' CZ2' HG21 ' A' ' 129' ' ' ILE . 60.7 t90 -58.08 -45.08 87.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 79' ' ' TYR . 11.6 tp -51.25 -67.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -49.42 -32.23 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.46 -42.58 92.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -71.08 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.28 -36.33 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 8.2 m-20 -84.16 162.22 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 m -95.3 116.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.26 139.01 30.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -55.25 -39.41 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.59 -29.02 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 11.0 tp -86.44 -52.16 5.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.6 t -44.41 -54.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.6 -42.1 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.4 mttp -68.47 -43.71 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.48 -47.0 88.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -54.1 -49.25 69.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.2 mmtt -63.06 -42.36 99.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.96 -54.36 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 122' ' ' GLU . 36.4 mmm-85 -63.21 -49.1 75.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.92 32.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.3 ptm180 -63.89 128.36 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 19.84 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.18 -179.39 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -124.1 -28.73 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -69.74 173.84 5.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -77.88 174.79 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.17 159.82 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.074 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.19 113.89 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 mt -102.94 121.04 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 53' ' ' GLU . 55.4 mt -100.29 143.46 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.454 ' N ' HG22 ' A' ' 39' ' ' ILE . 12.0 mtm -137.59 152.22 49.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 163.42 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 110' ' ' TYR . 6.2 mt -117.45 140.72 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.822 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.6 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.61 109.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 m -112.28 161.32 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 2.3 tm? -67.55 127.94 34.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.435 ' C ' HD11 ' A' ' 51' ' ' LEU . 12.2 t0 -93.54 -45.53 7.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.488 ' N ' HD11 ' A' ' 51' ' ' LEU . 3.2 pt-20 -171.35 152.44 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -115.78 111.18 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 10.0 mp -96.63 129.69 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' GLY . 24.0 mt-10 -113.86 151.66 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.94 56.34 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 11.4 m -112.69 173.13 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -117.39 159.89 39.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.99 35.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.741 2.294 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -29.15 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.48 -29.68 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.58 -50.46 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.04 -38.52 88.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.07 14.23 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.4 mt -116.26 144.69 33.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.415 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.68 129.99 18.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -98.36 1.99 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -113.56 -25.57 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -129.23 148.63 69.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.554 0.692 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.76 134.38 27.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 16.3 tpp180 -139.12 156.63 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 19.8 m-85 -98.16 139.35 34.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 2.0 mp -148.36 132.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 60.2 t -116.44 99.9 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -104.69 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.3 t -126.13 95.07 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 55.7 t80 -63.58 167.34 5.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.8 tttt -112.74 94.29 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.406 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 9.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -118.96 92.05 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.9 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 123.49 10.15 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.628 2.218 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.557 HD13 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.57 124.04 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.2 m -127.43 159.57 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 4.5 t80 -107.03 111.17 23.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.7 mt -97.8 102.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -84.37 90.99 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.1 p -70.17 107.85 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' ARG . 3.3 t -127.69 101.58 23.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.26 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.5 m -42.69 -32.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.72 2.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.66 160.61 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.464 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.4 ptmt -89.95 154.7 47.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -42.77 -30.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.7 mm100 -90.06 -49.62 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -40.35 -35.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.5 mtm -78.66 -35.09 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.685 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 50.6 ttp -62.21 -35.7 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.685 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 76.1 m-85 -94.86 -40.02 9.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.8 -7.6 12.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.83 -20.73 12.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 110' ' ' TYR . 11.5 ttpt -63.59 -54.72 31.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.2 t-20 -31.91 -56.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -46.91 -54.57 9.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -46.13 -56.33 5.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.405 HG11 ' CG2' ' A' ' 126' ' ' VAL . 55.8 t -45.15 -27.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -90.55 -36.22 14.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 79.0 m -63.0 -47.43 83.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.11 -2.05 50.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.411 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 15.2 mt-10 59.1 47.47 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.96 137.51 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.5 p -101.65 -25.33 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.1 mppt? -105.23 120.76 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.405 ' CG2' HG11 ' A' ' 118' ' ' VAL . 12.0 t -126.64 113.4 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 6.8 m-85 -118.62 141.86 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -122.62 127.38 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.568 HG21 ' CZ2' ' A' ' 139' ' ' TRP . 10.8 pt -103.69 129.42 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.424 ' HD2' ' CG ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -59.52 -30.88 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.424 ' CG ' ' HD2' ' A' ' 130' ' ' ARG . 6.2 m-20 -145.9 137.57 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.4 p -48.31 -31.27 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.26 -40.98 75.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.33 -37.55 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 18.8 tp -55.57 96.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.83 175.24 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.57 -61.54 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -50.83 -38.82 51.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.568 ' CZ2' HG21 ' A' ' 129' ' ' ILE . 75.0 t90 -62.87 -44.92 94.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.01 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -55.21 -21.36 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.82 -42.3 63.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.517 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.17 -37.57 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -108.66 148.27 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 117' ' ' LEU . 29.4 m -80.75 126.12 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.59 136.0 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.34 -47.58 65.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -30.53 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -81.19 -54.72 5.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' CG2' HG21 ' A' ' 16' ' ' VAL . 24.5 t -41.74 -50.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.6 pt-20 -45.35 -43.53 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 42.0 mttt -64.45 -49.56 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.96 -44.71 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -52.99 -48.13 67.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.8 mmtt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.78 -52.66 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.66 -47.35 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -94.08 33.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.9 ptm180 -69.09 121.72 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.79 42.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.5 mm-40 -124.91 177.22 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.0 m -113.56 -42.74 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 8.0 p-80 -55.41 179.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -89.33 -178.91 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.89 159.71 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.05 123.25 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -113.43 125.11 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.469 HD11 ' CG ' ' A' ' 53' ' ' GLU . 7.8 mt -108.53 141.88 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.2 mtm -129.49 165.56 21.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.22 160.26 32.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.94 149.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 20' ' ' LEU . 61.3 t -80.92 111.92 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.81 152.25 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 53' ' ' GLU . 2.5 tm? -61.61 126.56 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.422 ' C ' HD13 ' A' ' 51' ' ' LEU . 10.5 t0 -87.26 -48.79 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' N ' HD13 ' A' ' 51' ' ' LEU . 6.1 pt-20 -171.38 159.52 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.427 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -120.51 119.66 33.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.15 138.18 43.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 57' ' ' GLY . 5.3 mp0 -120.46 155.55 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.87 60.12 0.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 m -114.77 -179.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.107 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -126.85 159.76 62.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.4 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -23.1 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.13 -31.89 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.95 -55.63 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -46.48 -28.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.58 -36.04 81.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.25 18.86 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 75' ' ' ILE . 17.2 mt -124.35 150.82 65.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 144.53 54.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -112.29 9.51 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -119.39 -28.64 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -126.49 150.63 71.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.8 Cg_endo -69.82 135.66 30.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -137.1 156.64 48.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.446 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.2 m-85 -98.7 137.95 36.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 67' ' ' LEU . 2.9 mp -148.64 140.88 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.0 t -126.95 99.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -103.2 157.84 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.4 t -129.27 94.93 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD1' HD23 ' A' ' 140' ' ' LEU . 46.8 t80 -64.89 170.63 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.5 tttt -116.79 95.63 5.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.526 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -111.45 92.51 16.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.925 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 120.86 7.59 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.58 124.3 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.4 m -129.92 152.55 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 6.3 t80 -98.98 111.21 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.4 mt -97.83 100.99 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.8 96.07 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 t -74.84 103.03 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.1 p -122.66 101.49 39.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.684 0.754 . . . . 0.0 110.806 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 129.23 17.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' A' ' 102' ' ' CYS . 61.7 t -48.08 -32.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 24.92 2.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.401 ' H ' ' C ' ' A' ' 100' ' ' VAL . 18.3 p -96.45 156.51 16.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.404 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -93.64 158.09 37.25 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.244 . . . . 0.0 112.372 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -42.58 -29.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.404 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 9.7 mm100 -91.5 -47.81 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 3.9 mm100 -44.33 -35.4 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.1 mtm -71.36 -41.61 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.6 ttp -61.74 -46.55 89.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 85.7 m-85 -77.68 -43.8 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -47.86 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.75 -57.53 12.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.2 m -48.04 -40.34 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 14.5 ttpt -51.17 -57.57 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.68 -61.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -48.85 -48.48 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 16' ' ' VAL . 7.0 mt -51.96 -52.29 51.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.9 t -51.07 -21.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -91.36 -36.19 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 26.3 m -68.69 -45.68 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.3 -3.4 49.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 56.42 53.62 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 11.6 mt -101.71 126.71 48.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -88.13 -44.54 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 127.36 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.61 118.13 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -122.25 143.95 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.65 130.02 52.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.0 pt -106.9 131.85 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.0 ptt-85 -67.46 -23.75 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -144.89 130.26 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 35.7 p -45.25 -33.9 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -58.47 -41.16 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -47.0 -44.7 20.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 28.5 tp -53.59 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.5 p -142.13 154.1 44.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -40.48 -47.98 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -62.14 -57.92 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.444 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 22.5 t90 -49.11 -42.78 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 79' ' ' TYR . 14.2 tp -54.64 -62.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -54.99 -26.43 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -63.9 -47.4 80.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.76 -43.52 98.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.08 -36.49 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.7 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.831 0.348 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -114.55 172.21 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m -101.59 129.04 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.471 ' CA ' HD13 ' A' ' 48' ' ' LEU . . . -67.36 137.63 56.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.39 -43.08 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.19 -23.8 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tt -87.26 -55.28 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 120' ' ' THR . 15.6 t -44.0 -52.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.9 pt-20 -40.5 -46.29 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 52.0 mttt -61.5 -56.21 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.3 mt -49.69 -42.87 46.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -56.01 -45.83 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.1 mmtt -67.38 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -46.13 -53.78 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -63.38 -46.96 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.72 28.51 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.0 ptm180 -64.66 125.79 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -85.38 -5.01 59.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.41 167.95 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 m -110.02 -38.88 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -64.82 173.43 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.44 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.8 m120 -78.29 179.44 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.33 160.95 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.04 114.28 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mt -103.81 120.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.434 HD13 ' CG ' ' A' ' 53' ' ' GLU . 20.2 mt -99.83 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.423 ' N ' HG23 ' A' ' 39' ' ' ILE . 13.6 mtm -137.02 144.26 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HE3' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -130.45 170.43 14.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mt -127.19 132.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.471 HD13 ' CA ' ' A' ' 17' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.403 ' N ' HD12 ' A' ' 48' ' ' LEU . 17.7 t -68.36 122.11 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.419 ' CG2' ' HE3' ' A' ' 41' ' ' LYS . 27.2 m -129.47 154.29 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.499 HD11 ' N ' ' A' ' 53' ' ' GLU . 2.6 tm? -57.82 136.08 56.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' HD11 ' A' ' 51' ' ' LEU . 10.2 t0 -103.97 -47.1 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.499 ' N ' HD11 ' A' ' 51' ' ' LEU . 5.3 pt-20 -171.97 152.88 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 8.1 mt-10 -117.66 120.37 37.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.26 129.11 50.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -114.32 147.93 38.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.66 54.03 8.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -111.81 174.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -119.44 158.34 49.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HB3' ' CD2' ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.72 -13.54 34.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.84 -25.67 17.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.96 -29.08 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.1 tp -54.13 -54.5 38.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.25 -28.74 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.41 -31.15 71.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.21 -1.16 57.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 75' ' ' ILE . 32.1 mt -103.0 149.64 37.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 132.87 24.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -101.66 19.51 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -129.39 -30.83 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -127.25 149.9 70.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.2 Cg_endo -69.77 134.54 28.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.421 ' C ' HD12 ' A' ' 75' ' ' ILE . 13.2 tpp180 -137.82 157.11 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.8 m-85 -98.72 138.67 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -149.03 134.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.52 100.51 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 64.0 t80 -101.9 158.99 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.3 t -134.1 95.07 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 86.8 t80 -72.44 165.31 24.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 58.4 tttt -109.27 106.09 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.601 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 92.33 5.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.721 0.772 . . . . 0.0 110.928 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 121.3 8.01 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.29 . . . . 0.0 112.357 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.2 mm? -77.7 126.18 30.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.4 m -128.84 153.67 47.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -104.18 107.94 19.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.83 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -83.74 91.44 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.51 108.23 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.4 p -127.48 100.97 25.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 102' ' ' CYS . 53.9 Cg_endo -69.71 132.46 23.46 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 130' ' ' ARG . 5.0 t -50.96 -30.23 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.59 22.72 4.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 99' ' ' PRO . 31.2 p -92.11 159.09 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.433 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.5 ptmt -95.73 154.92 39.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.59 0.709 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.19 2.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.303 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -48.16 -28.27 2.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.433 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 24.4 mm-40 -93.83 -43.96 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -44.37 -34.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.34 -34.2 61.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.627 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 58.4 ttp -68.5 -37.2 79.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.627 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 83.2 m-85 -88.11 -31.93 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -64.07 -67.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.94 -30.08 59.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 m -77.06 -40.85 44.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.955 0.407 . . . . 0.0 110.849 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.8 ttpt -49.52 -56.71 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.88 -65.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -44.33 -48.66 9.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 117' ' ' LEU . 6.2 mt -50.83 -55.0 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 74.6 t -49.83 -19.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -95.9 -34.63 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.469 ' CG2' HG11 ' A' ' 21' ' ' VAL . 97.6 m -66.46 -42.9 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.25 -4.61 59.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 57.86 50.67 10.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.99 137.28 35.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.1 p -93.83 -50.44 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.0 mppt? -84.4 130.25 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.12 108.47 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 143' ' ' LYS . 2.6 m-85 -110.55 145.08 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -127.87 131.6 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 8.3 pt -111.32 135.38 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.589 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 7.1 ppt_? -82.61 4.47 24.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.589 ' ND2' ' CZ ' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -165.6 119.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.4 p -41.08 -33.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.51 -44.74 81.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.562 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.5 t70 -47.53 -41.48 21.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.44 ' C ' HD22 ' A' ' 135' ' ' LEU . 0.4 OUTLIER -57.36 97.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.0 p -142.07 170.57 15.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.88 -62.78 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -49.82 -52.0 35.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.562 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 59.0 t90 -54.57 -38.49 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -51.5 -60.0 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -61.6 -28.48 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.67 -49.59 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 127' ' ' PHE . 6.6 mmmt -64.06 -40.37 96.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.0 mt -66.78 -33.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.463 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 4.8 m-20 -107.86 170.0 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 117' ' ' LEU . 28.1 m -104.87 127.47 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.11 132.82 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.62 -47.36 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -53.43 -31.92 47.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.526 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -78.86 -56.69 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' LEU . 4.0 t -45.13 -57.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -39.14 -36.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.495 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -72.31 -39.58 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 21' ' ' VAL . 69.9 mt -67.72 -46.11 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -52.42 -44.3 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.8 mmtp -62.18 -42.4 99.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CG ' ' CD2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -44.68 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.66 -44.36 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -104.25 38.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' LYS . 10.0 ptm180 -67.09 145.25 55.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -97.75 23.57 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.548 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 7.0 mm-40 -111.57 175.66 5.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -125.26 -12.19 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 2.3 p-80 -84.33 168.88 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' ND2' ' HH ' ' A' ' 77' ' ' TYR . 17.3 m120 -69.04 175.22 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.58 167.38 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.32 123.53 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.431 ' CG2' HD23 ' A' ' 51' ' ' LEU . 11.4 mt -110.11 121.21 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.7 mt -103.93 128.5 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.452 ' CE ' HG23 ' A' ' 76' ' ' VAL . 12.4 mtm -119.87 144.04 47.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' CE ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.24 163.78 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.28 146.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 7.3 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.76 127.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.474 HG22 ' CE ' ' A' ' 41' ' ' LYS . 14.7 m -134.94 166.98 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' HG ' ' CD ' ' A' ' 23' ' ' LYS . 3.2 tm? -84.35 117.32 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' HA ' ' CE ' ' A' ' 41' ' ' LYS . 5.4 t0 -78.94 -41.99 28.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' N ' HD12 ' A' ' 51' ' ' LEU . 9.8 pt-20 -172.89 159.51 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -122.07 126.49 48.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 mt -109.58 140.2 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -121.24 154.23 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 40.25 50.63 3.66 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.88 172.86 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.09 161.18 41.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.8 31.57 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -94.61 -25.09 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.13 -27.04 14.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.1 tp -64.47 -49.63 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -49.8 -33.27 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.76 -34.27 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -85.74 13.13 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 75' ' ' ILE . 51.5 mt -114.73 148.71 40.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 123.37 10.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -94.83 10.77 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -122.99 -32.25 3.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -121.79 147.35 48.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.722 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 133.84 26.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -141.43 157.26 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.506 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 21.2 m-85 -98.21 138.75 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.537 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 0.8 OUTLIER -148.45 129.06 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' CE ' ' A' ' 40' ' ' MET . 53.8 t -113.98 99.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.468 ' HH ' ' ND2' ' A' ' 35' ' ' ASN . 58.4 t80 -92.77 144.06 25.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.583 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 35.9 t -113.03 94.95 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 81.5 t80 -80.16 170.56 16.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 44.9 tttt -115.61 115.93 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.931 0.396 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.8 OUTLIER -106.82 86.87 2.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.35 5.03 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.597 ' CD2' ' CG ' ' A' ' 27' ' ' PHE . 6.5 mp -81.62 124.67 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 63.7 m -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.417 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 6.2 t80 -111.29 104.21 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mt -93.74 100.92 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -81.33 97.99 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.5 t -80.46 98.83 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.9 p -118.32 101.18 51.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.7 Cg_endo -69.77 114.9 3.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 130' ' ' ARG . 6.9 t -42.19 -25.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.7 15.89 9.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 99' ' ' PRO . 29.5 p -96.61 161.75 13.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.45 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.88 155.96 52.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.59 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.9 tp10 -44.75 -28.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' MET . 6.6 mm100 -91.62 -47.71 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 3.1 mm100 -42.73 -33.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.3 mtm -72.21 -38.95 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.658 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 51.1 ttp -64.92 -44.09 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.658 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 75.1 m-85 -80.57 -41.18 24.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -48.49 -70.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.96 -56.52 23.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -46.91 -40.5 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.0 ttpt -49.69 -63.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.21 -54.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.71 -53.57 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.506 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -47.67 -52.02 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.39 -23.24 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -94.5 -34.07 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.429 ' CG2' HG13 ' A' ' 21' ' ' VAL . 4.6 m -66.48 -40.65 89.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.44 -3.63 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.7 48.11 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.9 mt -93.83 147.61 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -113.85 -31.1 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -99.26 113.25 25.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.6 t -120.84 113.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.1 m-85 -121.19 142.81 49.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -122.26 138.09 54.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.483 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 15.5 pt -117.29 135.86 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.585 ' NE ' HD22 ' A' ' 131' ' ' ASN . 17.2 ptt180 -66.95 -30.2 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.585 HD22 ' NE ' ' A' ' 130' ' ' ARG . 1.0 OUTLIER -146.12 144.17 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.0 p -53.61 -32.15 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -60.95 -20.76 62.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -76.03 -35.19 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.72 86.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.9 p -125.75 166.88 16.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.8 -55.75 18.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.57 -52.39 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 32.7 t90 -54.16 -38.53 65.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.557 HD21 ' CD1' ' A' ' 79' ' ' TYR . 18.4 tp -58.26 -70.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.56 -29.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.43 -41.47 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.93 -39.25 87.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.7 -36.4 82.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 100.0 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 3.1 m-20 -103.11 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG11 ' CD2' ' A' ' 117' ' ' LEU . 34.3 m -97.2 126.03 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 50' ' ' VAL . . . -69.38 127.09 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.21 -39.7 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -34.75 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tp -81.88 -51.43 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -45.34 -55.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.39 -42.14 3.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 25.4 mttp -68.46 -45.93 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -59.93 -45.62 92.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 37.2 mtm180 -54.59 -42.57 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 29.4 mmtt -64.21 -37.38 87.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 78' ' ' SER . 0.1 OUTLIER -51.26 -42.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -74.39 -35.38 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.0 m-85 -109.17 37.51 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -86.96 150.17 24.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -114.68 44.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.0 mm-40 -116.5 126.4 53.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.6 m -65.57 -47.98 73.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 9.1 p-80 -56.56 174.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -89.31 -177.61 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.49 165.91 16.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.61 128.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mt -113.68 115.25 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 22.3 mt -99.86 148.26 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.455 ' N ' HG22 ' A' ' 39' ' ' ILE . 15.1 mtm -139.14 161.71 36.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -157.3 169.6 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.552 HD13 ' CD1' ' A' ' 110' ' ' TYR . 15.4 mt -118.36 136.3 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.445 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.6 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 t -76.44 118.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.435 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.7 m -124.68 157.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 39' ' ' ILE . 1.4 tm? -73.13 123.64 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' N ' HD22 ' A' ' 51' ' ' LEU . 11.7 t0 -83.71 -46.18 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -166.5 162.09 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.08 115.55 22.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.8 mt -96.1 145.77 25.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.04 153.1 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.12 52.96 6.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.65 175.17 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.096 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -124.23 161.64 46.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.68 37.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -95.23 -21.7 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -97.37 -34.35 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -58.49 -50.83 72.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -47.2 -26.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -68.27 -38.8 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -81.52 15.43 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.449 ' CD1' HG12 ' A' ' 75' ' ' ILE . 55.0 mt -120.01 151.76 53.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.24 56.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.264 . . . . 0.0 112.36 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -114.29 9.08 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.446 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 16.8 mtm105 -125.47 -25.61 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -124.93 145.26 49.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.1 29.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.296 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -142.57 157.43 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.7 m-85 -97.93 139.06 34.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.525 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.43 125.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -113.06 99.64 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -95.48 150.75 19.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.582 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 43.4 t -117.34 94.99 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 140' ' ' LEU . 93.0 t80 -75.21 169.3 18.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 52.3 tttt -114.5 105.37 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 1.3 m-30 -105.43 90.37 3.94 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.67 0.747 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.29 7.1 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 27' ' ' PHE . 6.3 mp -88.8 128.28 35.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -124.09 166.26 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 11.1 t80 -107.4 107.51 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 mt -96.92 101.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -80.48 91.77 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.4 t -72.17 96.64 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.4 p -118.24 101.4 51.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.8 115.43 4.09 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.8 t -39.56 -27.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -78.97 17.65 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -95.71 161.92 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -92.1 156.18 42.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.707 . . . . 0.0 110.87 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -49.32 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -42.68 -26.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -92.63 -49.69 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 5.0 mm100 -42.9 -34.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.98 -39.11 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.652 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 29.7 ttp -62.61 -41.37 98.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.652 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 65.0 m-85 -84.96 -44.2 13.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -42.68 -70.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.17 -57.8 6.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 p -48.86 -41.21 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.489 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ttpp -50.29 -62.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -34.57 -56.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.86 -50.21 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 117' ' ' LEU . 5.5 mt -48.77 -49.42 38.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.413 HG22 ' NZ ' ' A' ' 114' ' ' LYS . 47.7 t -54.71 -20.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -93.39 -33.34 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -70.96 -45.65 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.96 -3.39 48.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 43.46 20.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.8 mt -93.9 135.75 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.5 p -98.65 -35.11 10.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -93.12 121.65 34.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.84 114.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 2.8 m-85 -120.97 152.82 38.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -129.25 140.56 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 18.0 pt -116.71 133.47 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.484 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 16.9 ptt180 -66.2 -29.72 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.484 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 4.0 m-80 -149.22 134.27 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.2 p -42.27 -30.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.77 -43.48 80.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.597 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.43 -39.13 69.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 54.2 tp -55.9 86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' ASP . 80.3 p -132.32 170.6 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -58.8 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -51.12 -46.21 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.597 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 36.8 t90 -61.63 -44.27 97.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 79' ' ' TYR . 12.0 tp -54.66 -65.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -48.42 -32.42 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.36 -49.0 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.555 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.96 -38.35 90.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.7 mt -74.02 -29.8 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.23 157.97 18.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG22 ' CG2' ' A' ' 21' ' ' VAL . 33.8 m -95.44 116.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.82 124.26 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -45.06 -45.78 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -38.49 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.4 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 11.8 tp -79.64 -53.53 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' LEU . 93.1 t -39.41 -60.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' VAL . 5.9 pt-20 -37.34 -38.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -66.95 -43.16 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 21' ' ' VAL . 77.6 mt -63.55 -44.61 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HE ' ' CG1' ' A' ' 21' ' ' VAL . 29.9 mtt180 -51.59 -49.58 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.7 mmtt -62.11 -36.71 82.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.86 -46.83 68.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.45 -43.25 70.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.23 37.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -80.73 141.18 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -107.79 41.49 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 9.6 mm-40 -115.78 132.47 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -69.1 -46.21 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 15.3 p-80 -58.02 175.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -88.21 -176.67 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -165.63 163.14 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.32 121.38 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.9 mt -110.79 119.22 59.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 HD11 ' CG ' ' A' ' 53' ' ' GLU . 21.8 mt -97.87 140.53 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.419 ' CE ' HG21 ' A' ' 76' ' ' VAL . 12.0 mtm -134.46 142.46 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' ' NE ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -133.2 163.74 28.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -108.03 130.32 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.894 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.23 113.22 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.1 m -121.89 159.34 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 2.2 tm? -64.14 125.75 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' C ' HD13 ' A' ' 51' ' ' LEU . 7.2 t0 -93.44 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 51' ' ' LEU . 7.0 pt-20 -174.43 160.0 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.53 122.07 37.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 mt -106.54 149.18 27.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -134.1 148.12 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.21 56.07 5.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.62 -179.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -124.04 158.98 58.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.65 37.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.39 -23.4 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -94.56 -27.97 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.43 -48.82 79.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HB3' ' CD2' ' A' ' 135' ' ' LEU . 6.4 pttt -51.71 -33.45 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.55 -32.1 73.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.42 13.21 14.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 81.1 mt -114.96 152.46 46.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.09 15.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.64 15.86 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 19.1 mtm105 -126.21 -30.81 2.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -125.91 145.68 52.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 74' ' ' PHE . 0.5 OUTLIER -129.2 158.86 37.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.1 m-85 -99.45 139.27 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 1.7 mp -148.86 137.95 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.419 HG21 ' CE ' ' A' ' 40' ' ' MET . 92.7 t -119.31 101.43 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -100.17 160.18 14.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -133.49 95.07 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' HD22 ' A' ' 140' ' ' LEU . 79.7 t80 -72.89 169.07 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.7 tttt -111.21 107.86 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -112.72 92.51 20.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.76 . . . . 0.0 110.948 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 27' ' ' PHE . 2.8 mm? -77.75 124.42 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.8 m -124.07 155.29 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.526 ' HB3' ' CB ' ' A' ' 126' ' ' VAL . 33.9 t80 -105.31 110.22 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.7 mt -100.68 105.52 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -85.11 90.18 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -67.96 100.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.7 p -121.54 101.69 43.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 123.54 10.23 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 102' ' ' CYS . 27.5 m -45.14 -31.61 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.26 26.3 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' CYS . . . . . 0.402 ' H ' ' C ' ' A' ' 100' ' ' VAL . 14.9 p -99.53 161.82 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -95.51 159.46 32.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -43.06 -30.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -91.26 -47.52 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 4.5 mm100 -44.47 -37.6 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -51.66 44.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.7 ttp -56.63 -49.02 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 82.2 m-85 -71.78 -40.66 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -51.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.04 -55.38 28.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 m -50.13 -41.74 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 18.6 ttpt -49.68 -57.93 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -36.84 -62.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -43.48 -48.97 7.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 117' ' ' LEU . 6.5 mt -50.89 -54.38 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.08 -18.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -95.85 -34.58 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 39.3 m -69.6 -46.54 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.27 -11.37 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 62.01 52.58 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 14.2 mt -91.86 162.58 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.0 p -125.75 -18.45 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -125.34 87.6 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.526 ' CB ' ' HB3' ' A' ' 94' ' ' PHE . 1.4 p -106.42 102.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 4.9 m-85 -95.65 165.08 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.29 132.81 30.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 pt -113.77 135.9 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -83.18 6.14 20.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -169.37 128.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.5 p -50.25 -33.91 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.84 -40.82 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -53.43 -37.78 62.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 64' ' ' LYS . 16.5 tp -57.18 95.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.9 p -140.21 165.19 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -50.51 -55.72 14.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.07 -49.01 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . 0.477 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 48.8 t90 -54.13 -47.54 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 79' ' ' TYR . 10.1 tp -49.42 -59.69 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -58.76 -28.81 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.75 -45.32 93.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.4 mt -70.6 -35.71 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -98.18 84.63 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 t -115.89 135.66 53.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.49 71.46 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -67.68 147.49 52.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 m -102.18 -55.13 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.5 160.82 34.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -103.8 145.94 29.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -95.32 88.28 5.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.1 t -165.11 124.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.1 mt -106.37 150.76 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -116.76 97.68 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -103.01 152.24 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 8.7 m -138.16 -179.47 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -109.84 162.88 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 m -92.41 126.62 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.89 134.03 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.11 -36.6 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -29.23 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 4.1 tp -92.26 -50.4 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -43.65 -53.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 5.0 pt-20 -43.11 -45.44 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 27.3 mttp -62.66 -47.8 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.4 mt -57.04 -47.22 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -53.58 -47.7 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' ARG . 28.9 mmtt -63.51 -40.12 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CE1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.56 -55.54 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -62.59 -46.45 88.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.799 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -93.79 32.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.5 ptm180 -67.09 136.33 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.79 21.28 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.48 176.55 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.1 m -115.02 -37.19 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -68.22 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 4.9 m120 -85.04 -179.99 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -162.2 159.89 26.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.87 119.62 6.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.86 119.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 HD13 ' CG ' ' A' ' 53' ' ' GLU . 22.3 mt -100.22 149.26 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 39' ' ' ILE . 14.2 mtm -140.38 151.59 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -144.82 163.2 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.03 139.83 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -99.75 168.88 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -85.47 -32.7 22.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -96.07 -40.37 9.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.5 mm-40 -70.39 -21.58 62.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.14 37.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.8 tp -146.83 136.57 23.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 t -67.99 118.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.06 164.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.503 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.9 tm? -68.8 126.3 29.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.419 ' C ' HD12 ' A' ' 51' ' ' LEU . 12.6 t0 -91.93 -45.11 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' N ' HD12 ' A' ' 51' ' ' LEU . 5.3 pt-20 -175.14 159.06 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.95 125.05 42.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 10.1 mp -104.96 154.08 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -134.18 144.29 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.18 53.96 5.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 12.5 m -110.84 173.43 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -116.89 158.87 42.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.748 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HB3' ' CD2' ' A' ' 140' ' ' LEU . 53.8 Cg_endo -69.75 -13.89 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.389 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.86 -26.05 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.62 -27.98 15.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 22.9 tp -58.79 -51.62 69.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -47.34 -29.86 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.04 -39.09 93.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.38 12.29 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 75' ' ' ILE . 17.5 mt -116.76 150.33 45.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.58 45.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.25 18.3 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 -131.06 -36.42 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -118.98 148.14 44.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.81 132.68 23.76 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 14.5 tpp180 -135.45 157.85 45.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 23.2 m-85 -97.98 139.12 34.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.519 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -149.47 125.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.1 t -108.57 99.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 83.4 t80 -101.77 158.44 16.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -132.08 95.26 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 79.1 t80 -68.53 168.46 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.0 tttt -114.79 99.4 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -90.64 96.0 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 29.3 tp60 -80.67 143.51 32.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -109.78 132.78 53.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' ASP . 8.0 t0 -39.4 -55.82 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 84' ' ' ASP . 11.3 t0 -37.02 -41.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.78 -26.47 2.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 10.2 ttm105 -76.03 145.94 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.424 HG21 ' CE ' ' A' ' 80' ' ' LYS . 2.4 p -142.43 129.74 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p -124.48 152.2 43.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -106.83 93.04 8.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.919 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 121.66 8.36 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.536 HD12 ' CE1' ' A' ' 27' ' ' PHE . 1.1 mm? -77.73 126.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.2 m -131.8 154.59 48.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -105.23 115.49 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 35.9 mt -102.28 101.98 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -78.61 88.74 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.03 101.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.1 p -124.25 101.32 34.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 128.61 16.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 t -50.73 -26.09 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.46 20.73 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.7 p -99.62 159.62 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.451 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 pttt -92.33 156.59 41.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -42.9 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.294 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.451 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 2.9 tp10 -48.14 -26.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -93.78 -41.21 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 1.6 mm100 -50.8 -37.23 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.4 mtm -63.26 -40.87 98.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.535 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 63.4 ttp -64.95 -56.82 10.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.9 m-85 -66.06 -33.13 75.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -61.4 -63.96 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.68 -33.19 84.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.9 m -71.57 -40.42 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.973 0.416 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.5 ttpt -49.65 -60.66 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.7 -62.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -45.7 -51.2 12.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.0 mt -48.9 -55.85 10.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.6 -23.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -89.1 -35.72 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.8 m -67.74 -49.94 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.59 -4.84 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.89 46.29 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.1 mt -90.68 132.91 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.0 p -91.88 -41.39 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 1.9 mppt? -93.48 127.34 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.4 t -133.0 106.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -112.45 152.98 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -129.94 141.9 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 5.6 pt -119.25 136.55 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -76.71 -10.08 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -156.83 131.47 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.4 p -50.23 -31.32 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -41.36 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.06 -40.64 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.43 95.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.2 p -138.77 174.12 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -54.77 -58.98 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 138' ' ' GLU . 1.4 tm-20 -52.38 -57.38 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.561 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 21.6 t90 -51.7 -29.49 18.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.462 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -61.94 -62.58 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -58.76 -20.47 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -66.43 -44.77 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.561 ' HE3' ' CZ2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -67.96 -41.27 82.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 54.1 mt -69.03 -28.13 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -77.36 -53.22 5.23 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.2 t -124.7 94.67 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -97.35 -146.97 21.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 167.15 25.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.3 p -144.69 151.1 38.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.6 t -106.06 146.24 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.434 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.448 ' N ' ' HG3' ' A' ' 9' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -145.35 160.81 40.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 4' ' ' GLY . 7.7 t -154.75 124.45 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.58 40.96 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.488 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -166.89 145.63 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -116.14 42.44 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.0 -102.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -152.58 127.59 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 1' ' ' GLY . 32.1 tt0 -67.44 81.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 t -102.67 130.15 49.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.7 mt -92.82 154.25 18.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -118.18 104.33 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.23 136.94 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m -111.12 -177.92 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -107.88 163.4 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.421 ' CG1' HD13 ' A' ' 117' ' ' LEU . 13.7 m -98.29 118.92 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.16 133.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -52.59 -41.48 63.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -54.39 -41.42 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -75.68 -50.17 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.475 HG11 ' CD ' ' A' ' 25' ' ' ARG . 85.8 t -43.14 -61.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.33 -36.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HD2' ' CD2' ' A' ' 51' ' ' LEU . 17.0 mttp -73.36 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 21' ' ' VAL . 59.4 mt -77.5 -48.49 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.475 ' CD ' HG11 ' A' ' 21' ' ' VAL . 14.6 mtp85 -49.85 -45.92 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' ARG . 20.4 mmtt -61.84 -39.94 93.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.518 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -54.73 6.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -64.8 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 1.8 m-85 -87.99 23.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.2 ptm85 -69.75 150.22 47.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -124.26 38.79 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.01 180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -115.61 -37.53 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -66.36 -177.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.19 172.78 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.69 157.74 34.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.88 118.44 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.479 HG23 ' CD1' ' A' ' 51' ' ' LEU . 6.2 mt -109.08 115.2 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.498 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 15.0 mt -97.43 139.64 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.424 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.0 mtm -127.39 158.37 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 151.61 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.4 mt -102.77 131.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.7 168.13 14.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -90.66 -29.99 17.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -82.8 -70.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.83 -29.78 70.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 54.56 46.88 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 tp -132.09 161.43 33.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.07 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.7 m -118.51 161.45 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.498 ' CD1' ' O ' ' A' ' 39' ' ' ILE . 4.6 tp -80.75 121.09 25.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.478 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.5 t0 -72.47 -54.25 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -166.86 146.48 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.46 133.74 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 50.1 mt -115.01 107.54 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -99.53 154.95 17.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.35 58.76 4.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 m -120.23 177.72 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -123.48 159.23 56.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.37 -22.7 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -97.36 -33.39 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.91 -46.38 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -54.2 -26.58 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.5 -34.19 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -83.74 14.95 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 44.0 mt -119.2 150.33 48.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.0 46.84 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.48 8.75 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -120.45 -18.66 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -136.58 149.78 68.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 135.65 30.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.319 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -142.13 155.51 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.599 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 21.0 m-85 -98.65 138.46 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.522 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.39 125.67 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.94 99.74 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -99.06 159.88 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.0 t -132.29 95.14 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD1' HD23 ' A' ' 140' ' ' LEU . 66.1 t80 -70.24 161.13 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.454 ' CG ' HG12 ' A' ' 88' ' ' VAL . 52.9 tttt -103.03 101.16 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -89.02 104.72 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.558 ' CD ' ' CG2' ' A' ' 88' ' ' VAL . 18.8 tp60 -87.17 135.72 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -105.4 136.67 44.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' ASP . 6.5 t0 -40.1 -59.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' ASP . 0.5 OUTLIER -37.12 -37.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.57 -32.12 2.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 88' ' ' VAL . 2.6 tmm_? -68.71 148.43 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.558 ' CG2' ' CD ' ' A' ' 82' ' ' GLN . 48.2 t -135.99 129.07 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m -118.1 144.57 45.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -106.28 90.3 4.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 122.09 8.77 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.518 HD13 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -77.76 128.9 34.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.09 154.83 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 4.1 t80 -104.61 107.81 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mt -93.39 101.79 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.55 ' CZ ' ' OG ' ' A' ' 98' ' ' SER . 5.4 t80 -79.26 89.52 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.3 t -71.37 99.74 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.55 ' OG ' ' CZ ' ' A' ' 96' ' ' PHE . 3.7 m -120.24 101.16 47.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.8 Cg_endo -69.74 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 t -40.99 -27.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -80.52 20.74 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -96.53 161.42 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.408 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.9 ptmt -91.35 155.67 44.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.4 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.9 -28.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 10.6 mm100 -93.22 -46.65 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 4.3 mm100 -44.1 -34.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.447 ' SD ' ' N ' ' A' ' 1' ' ' GLY . 4.6 mtm -69.2 -45.18 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.5 ttp -59.84 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -73.49 -39.03 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -51.27 -69.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.58 65.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.0 m -51.92 -38.74 57.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.2 ttpp -51.85 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.0 t-20 -34.35 -50.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -54.72 -53.82 49.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.599 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -47.67 -52.93 16.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.1 t -46.69 -23.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -91.81 -35.11 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.4 m -69.78 -42.69 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.49 -1.97 54.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 58.74 44.43 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.73 138.01 31.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -95.88 -46.73 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.402 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -93.79 138.14 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 38.6 t -139.07 110.56 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.2 m-85 -113.44 152.69 29.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -128.67 143.33 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 3.8 pt -124.17 134.2 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -65.01 -27.26 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -147.41 143.79 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.8 p -56.04 -21.66 23.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.68 -40.2 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' THR . 1.4 m-20 -56.79 -38.04 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 7.4 tp -56.34 84.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' ASP . 62.4 p -128.33 164.92 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -49.98 -54.85 17.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -53.63 -48.96 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.465 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 31.6 t90 -59.46 -35.62 74.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 79' ' ' TYR . 10.9 tp -58.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -54.99 -20.86 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.8 -41.64 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.9 mmmt -71.03 -37.04 72.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.48 -37.0 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -79.49 -71.68 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.0 p -161.83 108.16 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -79.08 -147.09 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.93 66.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.7 t -156.02 161.91 40.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 57.2 p -90.09 114.46 26.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -68.1 143.33 55.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -97.57 170.25 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.85 82.21 1.03 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -82.41 98.34 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -53.89 161.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.46 -72.6 1.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -107.3 153.42 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -81.63 -8.14 59.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t 46.68 46.27 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -110.65 176.52 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.57 122.38 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.78 130.1 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.46 -174.92 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.15 158.61 19.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.7 m -90.15 128.7 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.86 131.47 45.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.83 -36.9 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -36.33 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -81.72 -52.74 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG12 ' CG2' ' A' ' 120' ' ' THR . 55.1 t -38.74 -54.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.69 -39.94 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 23.4 mttp -64.59 -50.72 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.17 -40.13 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -54.24 -47.01 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.8 mmtt -64.4 -41.69 96.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.572 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.88 -53.63 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -61.79 -48.96 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -94.94 35.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.6 ptm180 -69.75 124.96 25.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -89.76 25.29 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -106.47 170.77 7.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.9 m -108.94 -43.16 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -55.88 179.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -89.29 176.89 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.23 160.61 32.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.88 114.03 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 mt -104.27 117.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.473 HD13 ' CG ' ' A' ' 53' ' ' GLU . 12.8 mt -98.09 141.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.0 mtm -132.96 144.72 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 160.22 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mt -116.69 129.18 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -82.16 -178.46 7.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -89.58 -42.2 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.79 -51.2 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' LEU . 52.4 mm-40 -51.2 -24.69 4.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.21 37.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' GLU . 2.6 tp -139.29 136.86 35.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.7 t -71.56 112.83 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.41 164.77 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.528 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.9 tm? -70.1 122.47 19.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' C ' HD13 ' A' ' 51' ' ' LEU . 9.6 t0 -88.21 -44.75 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.497 ' N ' HD13 ' A' ' 51' ' ' LEU . 9.5 pt-20 -176.07 149.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -111.01 123.34 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.9 mt -108.22 144.41 35.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' GLY . 69.2 mt-10 -128.61 152.05 48.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.6 57.3 1.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.52 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.48 176.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.16 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -123.03 160.84 47.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.62 36.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -93.26 -30.81 14.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -93.83 -25.26 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.1 tp -66.5 -53.62 32.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 7.6 pttp -48.87 -32.4 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.01 -33.18 74.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.95 17.57 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.46 ' CD2' HG12 ' A' ' 75' ' ' ILE . 17.1 mt -122.97 152.0 62.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 132.07 22.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -101.89 21.32 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -128.83 -32.22 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -124.87 150.93 67.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.79 132.31 23.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -133.54 156.76 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE2' HD11 ' A' ' 117' ' ' LEU . 23.0 m-85 -99.2 135.99 39.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.46 HG12 ' CD2' ' A' ' 67' ' ' LEU . 2.9 mp -148.84 130.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.7 t -110.35 99.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -100.34 158.84 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 t -132.98 95.05 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.9 t80 -67.48 170.61 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 61.3 tttt -114.38 104.31 11.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -90.68 99.31 12.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.983 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 10.2 tm0? -84.64 133.78 34.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.443 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 89.9 m-70 -102.01 131.29 48.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -38.29 -54.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.75 -40.84 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.91 -37.67 1.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' NH2' ' HB2' ' A' ' 89' ' ' SER . 4.4 ttp180 -63.59 146.72 53.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.8 p -144.87 132.73 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.401 ' HB2' ' NH2' ' A' ' 87' ' ' ARG . 7.4 t -125.63 161.93 26.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -116.31 93.54 39.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.709 0.766 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 120.7 7.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.572 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.6 mm? -77.61 124.22 27.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.3 m -129.01 158.8 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.484 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 14.6 t80 -103.78 109.24 20.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.0 mt -96.11 101.27 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.69 91.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.1 p -75.15 97.53 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.1 t -120.27 101.23 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.694 0.759 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 t -50.05 -24.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.3 21.66 4.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.0 p -103.89 160.27 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 156.07 58.94 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.62 -29.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -92.28 -45.89 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.439 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -42.54 -34.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.28 -46.02 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.3 ttp -58.62 -36.14 73.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.437 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 71.7 m-85 -87.59 -40.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -51.61 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.52 52.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.7 m -52.11 -38.54 57.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 13.3 ttpp -51.32 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.8 t-20 -34.88 -62.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -45.01 -48.79 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.468 HD11 ' CE2' ' A' ' 74' ' ' PHE . 8.0 mt -52.69 -55.76 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.22 -25.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -88.18 -34.99 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.471 ' CG2' HG12 ' A' ' 21' ' ' VAL . 22.0 m -68.48 -55.24 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -70.93 -4.0 22.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 58.68 45.78 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.8 mt -93.28 128.61 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.1 p -88.45 -46.19 9.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -90.66 127.01 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.9 t -128.86 111.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 5.4 m-85 -114.56 145.91 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 141.25 52.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 11.2 pt -118.85 133.49 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 9.5 ptt-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.402 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 10.2 m-20 -147.78 137.4 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.5 p -48.15 -27.8 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.7 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.84 -35.47 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 45.3 tp -59.67 94.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.1 p -139.6 165.87 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.43 -61.1 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -49.34 -40.25 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.57 -45.17 95.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.59 -62.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -53.42 -22.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.36 -47.96 58.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -64.28 -43.27 95.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -39.34 88.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.48 -92.5 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.0 t -96.0 86.82 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -127.14 -143.44 5.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 110.67 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.732 2.288 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.2 m -71.51 98.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.5 t -95.84 146.31 24.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -141.16 145.26 35.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.6 p -100.11 164.99 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.88 -127.86 2.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -109.59 136.09 49.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -92.2 177.96 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.54 -144.14 4.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.9 t 59.17 41.38 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -153.92 126.16 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p 44.0 43.95 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.6 mt -69.87 156.82 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.74 96.69 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.143 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -99.9 152.22 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 3.5 m -137.47 177.12 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.465 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 5.6 m-20 -106.01 158.9 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -85.98 128.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -63.14 141.23 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.22 -25.56 67.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -83.17 -55.07 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 24' ' ' LEU . 21.4 t -40.1 -59.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.1 pt-20 -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 mttp -64.67 -38.55 91.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' VAL . 80.5 mt -70.9 -44.11 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -53.05 -47.73 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.1 mmtp -60.13 -37.97 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.563 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -50.33 -48.27 55.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.59 -44.41 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.47 35.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -79.36 141.8 36.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -109.33 36.41 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.4 mm-40 -109.1 141.39 41.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -78.97 -41.37 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.2 p-80 -63.35 176.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.42 -179.94 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.41 160.55 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 63' ' ' LEU . . . -153.45 123.19 6.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.452 HG21 ' CD2' ' A' ' 51' ' ' LEU . 10.8 mt -114.27 119.5 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 30.1 mt -101.33 126.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.452 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 13.3 mtm -114.81 147.35 39.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' CD ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -147.26 156.29 42.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.8 mt -106.45 144.72 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -97.51 163.39 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -88.26 -15.96 34.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -107.08 -40.42 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -83.01 -12.07 57.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 32.24 41.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 10.2 tp -145.07 145.19 31.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 11.7 t -68.66 139.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.481 HG22 ' CE ' ' A' ' 41' ' ' LYS . 31.1 m -145.42 164.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.485 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 2.8 tm? -85.63 118.75 25.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' CB ' ' HE2' ' A' ' 41' ' ' LYS . 15.5 t0 -77.72 -44.4 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' N ' HD12 ' A' ' 51' ' ' LEU . 13.9 pt-20 -168.12 160.71 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -123.28 125.76 45.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.7 mt -106.19 150.23 26.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -130.34 145.86 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.7 51.58 10.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.1 m -106.73 177.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -124.17 161.42 47.42 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.645 0.736 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -17.38 37.84 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.86 -28.91 18.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -95.41 -23.94 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 HD11 ' CB ' ' A' ' 37' ' ' ALA . 24.8 tp -62.05 -49.1 77.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.39 -31.82 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.82 -29.13 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -91.45 14.61 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 75' ' ' ILE . 30.1 mt -119.65 149.55 48.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.548 0.69 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.14 39.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.95 20.36 18.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 -33.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -123.31 149.49 57.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 134.61 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -139.32 158.89 43.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' A' ' 117' ' ' LEU . 21.8 m-85 -98.45 138.97 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 HG12 ' CD2' ' A' ' 67' ' ' LEU . 3.2 mp -147.85 128.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 53.5 t -112.46 99.94 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -104.61 152.98 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.3 t -122.99 94.93 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.413 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 64.3 t80 -67.54 162.59 23.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.5 tttt -107.63 98.71 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.24 94.47 9.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 24.3 tp60 -86.2 144.25 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' N ' ' HG3' ' A' ' 82' ' ' GLN . 66.8 m-70 -112.79 143.58 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.42 -55.81 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.96 -40.68 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 138.3 -31.05 2.47 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 89' ' ' SER . 1.7 tmm_? -65.92 132.77 49.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.415 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 2.9 p -136.09 127.61 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.414 ' HB3' ' NH1' ' A' ' 87' ' ' ARG . 58.2 p -123.48 150.77 43.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -105.71 90.21 4.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.688 0.756 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.92 11.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 27' ' ' PHE . 2.7 mm? -77.5 127.35 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 m -129.4 159.81 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.4 ' C ' ' CD1' ' A' ' 94' ' ' PHE . 3.9 t80 -109.5 110.06 21.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.17 103.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -83.7 89.81 7.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 t -70.96 106.32 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -128.4 101.29 21.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 115.38 4.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 130' ' ' ARG . 4.2 t -44.1 -23.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.85 15.82 9.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.2 p -99.8 161.79 13.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.2 155.41 54.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.76 3.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 4.6 tp10 -48.08 -27.21 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.7 mm-40 -92.84 -46.22 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -37.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 mtm -71.54 -34.98 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.566 ' HE3' ' CE1' ' A' ' 110' ' ' TYR . 54.7 ttp -64.23 -35.31 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.566 ' CE1' ' HE3' ' A' ' 109' ' ' MET . 79.4 m-85 -92.69 -32.56 14.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.5 -65.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.45 -49.43 64.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -58.43 -40.84 83.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 12.6 ttpt -48.77 -59.97 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.4 -65.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -44.1 -48.71 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.504 HD12 ' CE2' ' A' ' 74' ' ' PHE . 6.1 mt -50.66 -54.89 19.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.61 -19.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -96.09 -30.75 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 -47.97 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.54 -7.41 56.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 62.27 45.79 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.431 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 10.2 mt -95.11 132.86 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.2 p -92.44 -38.94 11.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.23 128.61 39.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.78 108.51 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 3.5 m-85 -114.45 151.06 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -129.39 140.31 51.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.97 137.92 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.542 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 18.2 ptt180 -70.62 -29.86 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.542 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 3.6 m-20 -144.8 139.73 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.6 p -49.62 -27.63 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.1 -33.25 75.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.81 -37.73 77.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.428 ' C ' HD22 ' A' ' 135' ' ' LEU . 1.8 tt -55.23 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.75 165.45 27.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.53 -59.05 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.88 -39.29 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.22 -42.2 99.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 11.9 mt -55.78 -62.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -52.43 -27.73 17.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.35 -46.32 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.5 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.96 -43.07 88.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 72.7 mt -63.56 -39.11 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -112.94 60.22 0.35 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 10.9 p -117.46 92.79 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 82.35 142.47 4.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 4.38 2.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.4 m -64.22 100.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.9 t -62.87 123.69 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -124.03 144.95 49.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -102.65 -43.98 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.818 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.5 -145.22 8.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -58.15 172.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -116.24 -60.95 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.811 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.33 152.28 22.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 p -136.63 168.29 19.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -82.81 45.09 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -91.61 127.72 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 108' ' ' MET . 70.4 mt -115.38 141.75 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.7 97.37 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -100.52 139.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.468 ' N ' HG23 ' A' ' 13' ' ' VAL . 78.3 m -128.08 167.13 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -94.93 172.46 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.441 ' CG1' HD22 ' A' ' 117' ' ' LEU . 23.9 m -98.3 124.11 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.85 134.02 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -49.05 -45.35 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -27.21 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.94 -54.01 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.449 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.4 t -45.94 -58.91 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -38.55 -40.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.5 mttp -63.98 -53.16 54.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 92.8 mt -57.23 -38.23 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -55.55 -44.91 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.0 mmtp -67.96 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.577 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.69 -53.32 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.5 mmm180 -62.88 -46.01 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.7 33.64 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' LYS . 7.8 ptm180 -72.78 128.52 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -92.92 37.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -114.46 160.82 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -101.91 -34.19 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -69.33 173.51 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.43 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.3 m120 -84.05 175.45 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB3' ' NH2' ' A' ' 30' ' ' ARG . . . -160.64 162.74 32.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.53 119.69 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mt -107.53 114.81 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 40' ' ' MET . 26.7 mt -96.31 146.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.452 ' N ' HG22 ' A' ' 39' ' ' ILE . 13.8 mtm -138.51 160.34 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 162.94 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.524 HD12 ' CD1' ' A' ' 110' ' ' TYR . 64.5 mt -108.2 132.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.67 179.81 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.75 -21.52 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.02 -62.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' C ' ' HD2' ' A' ' 47' ' ' ARG . 44.3 mm-40 -95.14 -15.75 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HD2' ' C ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER 57.07 55.0 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.33 144.43 31.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.68 122.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -127.94 155.05 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 2.4 tm? -57.03 128.01 34.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' HD11 ' A' ' 51' ' ' LEU . 11.6 t0 -93.82 -45.64 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' N ' HD11 ' A' ' 51' ' ' LEU . 10.0 pt-20 -175.29 151.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -115.19 129.49 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 mt -113.03 147.9 36.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.46 146.47 52.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 47.11 53.94 10.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 m -114.83 169.68 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -117.15 159.59 40.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.693 0.759 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HB3' ' CD2' ' A' ' 140' ' ' LEU . 53.3 Cg_endo -69.76 -12.91 33.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -95.2 -28.24 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -96.64 -28.18 14.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.48 -46.99 83.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 3.4 pttp -50.42 -36.55 33.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.436 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 5.3 t0 -56.6 -36.24 69.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -85.17 20.47 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.5 mt -126.05 148.74 64.17 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 125.54 12.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -95.26 11.87 30.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -121.83 -36.11 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -119.18 147.58 43.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.79 130.48 19.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -133.65 157.1 46.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 23.9 m-85 -98.5 138.24 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.531 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.5 mp -149.74 132.61 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 100.1 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 77.8 t80 -101.13 158.78 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.8 t -133.01 95.23 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 87.0 t80 -70.55 168.84 15.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 65.2 tttt -111.99 104.99 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -96.19 97.82 9.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -80.34 130.38 35.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -94.01 136.27 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -46.76 -46.44 20.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 84' ' ' ASP . 4.0 m-20 -44.0 -36.93 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.27 -30.79 2.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -76.95 152.62 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 p -142.68 137.4 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.0 p -133.22 151.49 51.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -102.87 95.85 6.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.739 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 120.2 7.02 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 ' CD1' ' A' ' 27' ' ' PHE . 2.2 mm? -77.44 122.6 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 m -125.54 166.99 15.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.427 ' HB2' ' CD1' ' A' ' 123' ' ' LEU . 5.3 t80 -118.02 106.69 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 36.1 mt -94.2 101.81 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.82 86.53 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 t -64.45 106.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.1 t -132.61 101.26 14.42 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.691 0.757 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.77 26.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 130' ' ' ARG . 3.2 t -53.59 -26.48 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.72 21.1 5.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.1 p -99.05 155.72 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 156.58 51.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.76 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -45.9 -25.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.0 mm100 -93.37 -48.04 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -34.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.456 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -77.93 -30.16 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.493 ' HE2' ' CE2' ' A' ' 110' ' ' TYR . 44.5 ttp -68.46 -34.76 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 66.2 m-85 -94.33 -29.64 14.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.48 -62.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.08 -46.54 69.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -38.14 90.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.895 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 115' ' ' ASN . 9.3 ttpt -49.7 -62.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.1 t-20 -35.47 -58.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -49.5 -50.39 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.464 ' N ' HD21 ' A' ' 117' ' ' LEU . 5.5 mt -49.67 -50.82 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.61 -19.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.02 -34.42 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.449 ' CG2' HG13 ' A' ' 21' ' ' VAL . 41.3 m -67.21 -41.76 85.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -89.2 -2.42 58.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 56.36 49.69 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.427 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 9.6 mt -95.05 136.36 35.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.1 p -95.09 -48.04 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 124.25 33.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.23 109.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 10.4 m-85 -110.06 148.32 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -127.24 127.94 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 14.8 pt -102.12 139.39 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.441 ' NH2' ' OD1' ' A' ' 134' ' ' ASP . 0.0 OUTLIER -77.64 -5.95 52.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -171.53 137.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.8 p -45.83 -34.14 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.8 -39.84 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.441 ' OD1' ' NH2' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -57.65 -39.08 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.9 tp -60.95 92.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 60.2 p -138.88 170.52 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.91 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -49.85 -49.63 48.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.474 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 49.5 t90 -58.14 -37.87 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -53.02 -59.52 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -62.15 -25.5 67.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.97 -48.19 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 6.4 mmmt -64.47 -42.82 95.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.9 mt -69.65 -34.11 73.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -71.83 -78.55 0.47 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 12.6 t -104.58 89.46 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.2 -136.87 6.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.79 18.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.8 t -128.0 166.68 17.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.0 t -79.8 98.31 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -77.01 97.54 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -128.07 161.85 28.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.94 -173.78 50.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -131.72 40.66 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 m -44.97 125.98 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -178.83 27.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.8 p -41.09 113.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -137.8 121.63 17.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.3 t -81.46 91.67 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.24 159.66 14.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -122.87 95.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.41 HG23 ' N ' ' A' ' 14' ' ' CYS . 1.5 p -98.4 150.3 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' N ' HG23 ' A' ' 13' ' ' VAL . 51.9 m -135.3 -174.96 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.477 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 2.6 m-20 -110.54 172.84 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.5 m -108.76 117.94 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.481 ' CA ' HD11 ' A' ' 48' ' ' LEU . . . -58.7 129.58 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.59 -35.06 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.78 -30.23 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 14.1 tp -87.89 -51.98 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 58.0 t -42.67 -54.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.95 -41.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.6 mttp -66.06 -53.8 33.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.0 mt -52.78 -43.71 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -53.38 -46.03 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.9 mmtp -65.28 -42.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.68 -56.87 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 5.6 mmm180 -60.06 -47.8 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.94 35.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.2 ptm180 -69.38 123.44 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 41.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.406 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 9.9 mm-40 -122.28 -178.13 3.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.3 m -121.92 -39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.22 169.27 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -73.79 177.7 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.55 154.16 13.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 55' ' ' LEU . . . -152.55 113.89 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -103.3 119.95 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.458 HD12 ' CG ' ' A' ' 53' ' ' GLU . 14.8 mt -98.84 143.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.441 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 15.9 mtm -135.57 161.62 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 173.09 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.5 mt -116.95 133.53 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.37 -175.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -101.75 -30.3 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -120.0 -54.11 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -45.52 -35.73 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 58.5 55.04 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 HD11 ' CA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -150.51 133.69 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.414 ' N ' HD13 ' A' ' 48' ' ' LEU . 19.2 t -71.68 122.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -124.42 166.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.535 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 1.9 tm? -73.82 123.75 24.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' HD11 ' A' ' 51' ' ' LEU . 13.0 t0 -89.2 -44.94 9.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' HD11 ' A' ' 51' ' ' LEU . 5.9 pt-20 -171.96 170.28 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' C ' HD22 ' A' ' 55' ' ' LEU . 7.5 mt-10 -130.16 127.33 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 37' ' ' ALA . 1.7 mm? -103.08 133.81 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 mt-10 -119.29 143.2 47.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 34.92 52.77 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 m -106.39 176.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 162.95 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -12.52 33.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.73 -26.5 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -96.7 -27.38 14.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 HD13 ' CB ' ' A' ' 37' ' ' ALA . 50.3 tp -64.42 -48.61 74.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -53.99 -24.4 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.05 -28.49 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -89.28 13.33 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 75' ' ' ILE . 13.6 mt -120.13 151.24 52.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.41 16.15 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -128.49 -29.34 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -126.17 151.36 71.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.4 Cg_endo -69.77 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -139.21 157.87 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.684 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 19.6 m-30 -98.63 136.59 38.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.475 HD13 ' N ' ' A' ' 75' ' ' ILE . 3.0 mp -149.1 131.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.57 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -102.22 155.85 17.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.2 t -131.23 94.8 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.483 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 75.5 t80 -69.27 169.34 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 58.0 tttt -113.69 107.84 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -94.9 99.3 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -83.28 134.62 34.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -101.65 129.66 47.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -38.5 -47.06 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.47 -43.59 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.61 -35.48 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -69.57 146.93 51.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.427 HG23 ' CE ' ' A' ' 80' ' ' LYS . 3.1 p -143.44 133.83 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.0 m -128.33 150.59 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -103.48 95.25 6.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 120.91 7.62 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.59 122.49 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.12 157.46 41.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -103.14 110.47 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.46 100.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -81.92 93.6 6.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 59.8 p -73.11 98.67 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 p -119.83 100.98 48.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 115.47 4.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.3 t -43.72 -25.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.92 21.15 4.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.4 p -102.62 161.81 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 156.59 51.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -47.68 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.256 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -44.79 -27.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 109' ' ' MET . 9.1 mm100 -91.94 -48.15 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 7.0 mm100 -42.96 -34.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.546 ' HE1' ' CE1' ' A' ' 110' ' ' TYR . 13.4 ttp -62.36 -38.57 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.546 ' CE1' ' HE1' ' A' ' 109' ' ' MET . 90.1 m-85 -90.99 -31.36 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -58.37 -69.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.68 -42.59 85.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -62.7 -40.75 98.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.6 ttpt -47.79 -57.56 5.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.03 -63.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -45.38 -50.72 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.684 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 6.4 mt -50.43 -56.51 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -47.7 -21.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.7 m -67.08 -44.15 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.406 ' CB ' HD11 ' A' ' 123' ' ' LEU . . . -82.04 -4.85 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 61.54 49.66 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.44 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 9.4 mt -102.9 132.91 48.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 45.9 p -94.0 -45.43 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -85.13 124.52 31.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.19 113.06 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 7.6 m-85 -116.74 146.2 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -125.99 131.14 52.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.414 HG23 ' CZ2' ' A' ' 139' ' ' TRP . 44.3 pt -104.43 137.96 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -65.19 -30.64 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.45 142.42 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 38.2 p -44.55 -32.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.46 -40.15 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.8 t0 -54.26 -41.03 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.427 ' C ' HD22 ' A' ' 135' ' ' LEU . 1.5 tt -50.04 94.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.8 p -141.86 156.27 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -48.79 -54.78 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 20.1 t90 -62.48 -43.53 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.38 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -50.26 -29.29 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.46 -44.13 95.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.564 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 23.2 mt -66.62 -37.66 85.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.5 -70.24 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.508 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.4 t -112.24 99.42 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -129.19 -129.94 3.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 124.82 11.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 65.5 m -68.15 104.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.3 m -114.45 118.1 32.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -151.59 122.68 7.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -91.36 134.82 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.8 113.81 0.58 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.7 m -127.5 42.4 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -43.34 -45.34 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.33 -105.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -112.34 150.28 31.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -106.54 101.0 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 t -118.15 47.6 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp -58.16 170.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.8 t -126.8 96.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 1.2 p -95.68 152.36 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 30.3 m -139.59 -176.54 4.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.79 170.8 7.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -103.18 121.9 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.77 126.34 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.37 -49.68 53.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -35.08 22.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -82.27 -52.63 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 51.9 t -39.58 -53.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.9 -38.29 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.53 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.4 mttp -67.71 -37.93 82.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 74.7 mt -72.56 -48.54 39.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.5 mtm180 -50.82 -48.57 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -58.65 -38.05 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.13 -54.13 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.73 -45.48 89.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.79 34.7 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -70.66 122.95 20.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.3 pptp? -89.32 32.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 65.3 mm-40 -113.18 166.71 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -105.42 -43.76 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.522 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 12.3 p-80 -54.74 178.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -86.49 178.78 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.09 157.26 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.98 118.77 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.1 mt -108.15 122.96 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 40' ' ' MET . 39.2 mt -102.02 141.36 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.461 ' N ' HG22 ' A' ' 39' ' ' ILE . 14.8 mtm -133.92 164.23 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 176.45 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.99 133.16 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.68 169.94 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -41.63 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -89.61 -54.8 3.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' ARG . 9.0 mm-40 -52.73 -22.43 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.4 38.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.3 tp -149.21 144.54 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.1 t -68.0 116.36 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.2 m -120.18 169.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HG ' ' CD ' ' A' ' 23' ' ' LYS . 3.4 tm? -75.16 122.85 24.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -86.84 -45.05 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.516 ' N ' HD11 ' A' ' 51' ' ' LEU . 8.4 pt-20 -173.88 170.08 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -135.11 128.0 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.1 mt -113.82 149.77 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' GLY . 34.8 mt-10 -125.67 150.1 47.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.48 60.66 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 m -113.46 174.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -122.75 161.76 42.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.88 -10.69 29.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.641 2.227 . . . . 0.0 112.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -28.17 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -95.29 -24.03 16.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.5 tp -61.71 -57.38 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 2.1 pttt -46.54 -37.02 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.476 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -58.49 -34.94 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -89.51 17.36 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD2' HG12 ' A' ' 75' ' ' ILE . 60.4 mt -120.93 150.59 53.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.13 17.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -101.58 21.12 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -129.25 -32.53 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 99' ' ' PRO . 16.1 mt-30 -125.54 151.42 70.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.566 0.698 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -133.26 156.67 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.53 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 19.4 m-30 -97.83 138.01 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.502 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.2 mp -149.37 127.98 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.2 t -109.75 99.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -98.67 158.44 15.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -131.58 95.18 3.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.508 ' CD1' HD22 ' A' ' 140' ' ' LEU . 62.6 t80 -69.78 169.76 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.3 tttt -116.68 97.05 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -87.29 99.3 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -87.28 137.98 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -100.73 128.98 46.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.08 -40.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.78 -43.76 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.8 -35.81 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -71.98 148.29 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 89' ' ' SER . 3.1 p -144.11 133.08 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.426 ' N ' HG23 ' A' ' 88' ' ' VAL . 3.1 t -126.0 157.93 36.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -113.49 91.96 22.0 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.709 0.766 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 124.07 10.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.8 mm? -77.81 125.72 29.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.52 153.66 47.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -103.79 107.26 18.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.5 101.09 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -81.83 98.53 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.4 t -78.9 95.22 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -114.17 101.07 53.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.679 0.752 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 53.9 Cg_endo -69.78 122.02 8.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 t -49.36 -24.53 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.68 20.7 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 p -104.56 161.93 13.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -85.9 153.37 57.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.715 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -40.93 4.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.73 -27.24 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -93.87 -41.29 9.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -46.81 -36.11 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.1 mtm -72.57 -39.86 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 54.4 ttp -60.5 -41.19 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.632 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.5 m-85 -86.49 -34.61 19.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -57.41 -69.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.24 88.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 m -62.1 -40.64 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.5 ttpt -49.76 -60.77 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -33.82 -56.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -46.81 -53.99 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.53 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.8 -52.85 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 126' ' ' VAL . 83.1 t -44.22 -26.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -90.67 -38.86 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 15.7 m -65.17 -39.44 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.58 -3.71 59.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 62.23 47.06 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 6.9 mt -95.53 143.34 26.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -107.68 -32.66 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -104.56 126.74 51.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.461 ' CG2' HG11 ' A' ' 118' ' ' VAL . 22.0 t -130.65 117.7 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 14.3 m-85 -121.31 139.34 53.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -118.74 129.48 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.494 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 28.6 pt -106.7 131.83 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 10.4 ptt-85 -63.47 -27.64 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 8.1 m-20 -147.18 144.55 29.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.6 p -53.57 -30.72 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.48 -42.29 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.93 -39.21 62.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.421 ' C ' HD21 ' A' ' 135' ' ' LEU . 1.7 tt -56.73 89.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.2 p -134.68 162.56 31.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -49.24 -55.63 11.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.49 -49.67 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 14.3 t90 -57.68 -37.96 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.508 HD22 ' CD1' ' A' ' 79' ' ' TYR . 17.7 tp -59.76 -64.76 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -55.15 -24.2 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.25 -41.07 94.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.71 -38.25 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.55 -37.77 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -73.96 -41.75 39.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.1 m -80.43 43.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 60.82 140.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.88 49.07 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.248 . . . . 0.0 112.316 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.0 t -105.31 113.65 27.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 93.2 p -113.76 104.19 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -95.91 151.93 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -160.98 115.79 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.98 118.42 4.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -134.84 141.35 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -78.1 -51.25 10.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.26 140.73 0.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -165.78 162.36 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.818 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -126.08 108.49 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -174.76 149.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.31 163.72 13.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.09 96.02 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 p -97.62 150.33 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 m -137.26 176.1 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 3.7 m-20 -100.27 162.68 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.4 m -94.67 120.66 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.38 132.47 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.89 -45.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -54.78 -26.31 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.67 -54.29 4.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.445 HG11 ' CG2' ' A' ' 120' ' ' THR . 41.3 t -40.4 -49.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 6.5 pt-20 -43.94 -42.38 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.415 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 36.1 mttt -64.78 -53.4 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.1 mt -53.21 -43.09 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -53.68 -44.7 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 31.4 mmtt -68.32 -40.59 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -42.23 -55.77 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -61.25 -47.37 86.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -95.31 35.39 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LYS . 5.3 ptm85 -73.67 122.13 21.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -89.2 37.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -117.58 150.5 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -86.21 -46.45 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -55.47 178.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 1.5 m120 -91.35 -179.49 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.76 157.91 27.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.51 115.34 5.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mt -105.87 119.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.468 HD13 ' CG ' ' A' ' 53' ' ' GLU . 15.6 mt -99.4 140.72 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.9 mtm -129.86 167.98 17.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.25 169.75 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.7 mt -114.64 131.16 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -73.35 -175.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.44 -37.37 8.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -98.23 -54.59 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -54.07 -36.39 63.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 54.27 49.59 18.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 8.0 tp -150.13 141.74 23.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.9 t -70.84 106.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.28 158.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 51' ' ' LEU . 3.2 tm? -64.95 129.21 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -91.49 -46.35 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.468 ' CG ' HD13 ' A' ' 39' ' ' ILE . 11.0 pt-20 -173.83 163.71 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -121.22 124.38 44.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 63' ' ' LEU . 47.9 mt -109.7 131.36 55.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 57' ' ' GLY . 15.1 mp0 -117.31 155.11 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.82 59.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.2 m -116.43 175.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -126.15 161.44 51.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.46 ' O ' ' CD2' ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.79 -10.35 28.32 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -33.07 12.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -91.66 -32.68 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 55' ' ' LEU . 23.0 tp -53.94 -53.05 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 2.6 pttt -51.05 -33.77 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 7.2 t0 -62.71 -32.83 74.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -86.52 18.85 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 75' ' ' ILE . 19.4 mt -124.3 152.07 67.25 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.583 0.706 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 137.54 35.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.363 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.69 12.68 30.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.87 -30.8 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -126.85 151.23 73.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.78 43.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -142.36 157.71 44.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.467 ' CD2' HD12 ' A' ' 117' ' ' LEU . 20.2 m-85 -98.71 139.43 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.47 HG12 ' CD2' ' A' ' 67' ' ' LEU . 3.1 mp -148.64 135.64 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.9 t -119.62 99.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 75.4 t80 -103.69 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.1 t -131.48 94.66 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CD1' HD22 ' A' ' 140' ' ' LEU . 57.2 t80 -66.03 169.79 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 62.3 tttt -114.92 97.33 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -87.38 100.3 12.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.414 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 41.5 tp60 -88.79 138.44 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -102.87 133.77 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -43.51 -41.59 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.0 -46.71 52.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.34 -31.35 1.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -73.73 143.25 46.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.414 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 3.2 p -142.81 130.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -126.99 159.67 33.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -109.97 94.73 18.35 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.698 0.761 . . . . 0.0 110.885 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 123.26 9.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 27' ' ' PHE . 3.3 mm? -77.43 124.89 28.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 32.8 m -130.56 158.69 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 4.6 t80 -106.52 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -102.89 100.93 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -82.06 96.1 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.8 t -72.39 96.07 1.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.0 p -116.29 101.13 53.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.9 13.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 130' ' ' ARG . 11.9 t -48.27 -28.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.89 24.07 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.5 p -100.32 161.22 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.408 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.0 ptmt -96.02 156.33 37.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.48 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.46 -29.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 25.6 mm-40 -92.47 -40.1 11.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 6.1 mm100 -50.01 -37.09 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -69.17 -39.96 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.574 ' HE3' ' CE2' ' A' ' 110' ' ' TYR . 44.2 ttp -61.43 -47.6 85.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.574 ' CE2' ' HE3' ' A' ' 109' ' ' MET . 86.8 m-85 -79.97 -32.6 39.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -58.06 -66.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.61 93.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 m -61.59 -42.39 98.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 12.3 ttpt -47.22 -57.62 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -35.03 -66.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -40.33 -48.01 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.467 HD12 ' CD2' ' A' ' 74' ' ' PHE . 8.4 mt -53.75 -53.49 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.18 -17.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -95.22 -34.78 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.445 ' CG2' HG11 ' A' ' 21' ' ' VAL . 26.8 m -70.22 -42.57 72.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.96 -2.22 56.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 57.8 52.83 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 4.9 mt -103.98 132.28 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.1 p -95.65 -37.03 11.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -89.34 129.36 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.17 113.1 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.9 m-85 -121.74 140.69 52.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.66 134.09 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 32.5 pt -108.42 129.97 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.417 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 24.6 ptt180 -69.35 -17.3 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -149.97 129.78 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.9 p -45.15 -30.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.581 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.3 t0 -46.01 -44.71 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.46 ' CD2' ' O ' ' A' ' 60' ' ' PRO . 2.2 tt -53.02 96.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.5 p -142.9 157.93 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -44.23 -52.76 7.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.96 -55.61 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.581 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 39.0 t90 -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.575 HD22 ' CD1' ' A' ' 79' ' ' TYR . 10.9 tp -53.46 -61.64 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -55.77 -26.65 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -64.86 -43.61 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.67 -38.0 73.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.25 -34.94 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.62 42.15 2.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.8 t -90.79 39.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.47 140.85 6.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 96.24 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 41.7 t -49.76 -19.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 28.4 p -92.32 134.77 34.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 p -73.47 150.59 41.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -50.91 -58.89 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.08 164.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -81.16 113.56 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -155.28 175.84 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.64 -130.71 6.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.554 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -57.16 125.92 24.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -134.72 79.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 m 40.46 52.33 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.7 mt -79.19 160.34 26.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -113.9 99.15 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.6 t -94.06 134.46 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.3 m -113.46 -175.26 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.434 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 4.7 m-20 -108.09 168.1 9.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.3 m -98.97 124.4 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -64.39 127.5 31.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.13 -38.97 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.49 -30.48 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp -85.63 -53.88 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -41.29 -51.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.8 pt-20 -43.76 -44.39 6.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 43.9 mttt -62.92 -56.49 16.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.3 mt -49.79 -44.44 49.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 33.2 mtm180 -53.91 -44.07 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ARG . 19.2 mmtm -65.76 -46.31 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.601 ' CG ' ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.08 -51.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -63.46 -48.28 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.6 m-85 -97.89 36.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.4 ptm85 -75.91 127.78 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.42 35.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.8 mm-40 -121.63 146.47 46.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.5 m -89.48 -37.74 14.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 2.7 p-80 -58.24 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -96.63 179.62 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.571 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -164.65 170.06 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.67 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.06 122.62 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 HD12 ' CG ' ' A' ' 53' ' ' GLU . 14.6 mt -102.93 145.91 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.439 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.4 mtm -137.68 145.06 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.37 162.94 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.88 138.41 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -95.74 -175.68 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.45 -5.31 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -111.53 -67.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' ARG . 15.1 mm-40 -61.85 -11.41 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.76 43.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.4 tp -141.12 140.69 34.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 27.5 t -70.95 119.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.46 161.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD13 ' N ' ' A' ' 53' ' ' GLU . 2.6 tm? -71.87 123.45 22.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -86.56 -45.94 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' N ' HD13 ' A' ' 51' ' ' LEU . 13.5 pt-20 -173.74 163.11 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.426 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 6.4 mt-10 -123.54 126.91 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 mt -111.72 131.13 55.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -114.57 153.96 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.22 60.27 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.4 m -117.23 178.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.13 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -129.35 162.1 54.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -94.93 -31.31 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -93.35 -29.75 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.95 -54.1 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -51.4 -28.48 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.53 -29.14 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -90.88 10.66 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 39.4 mt -115.59 150.96 45.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 133.21 24.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -103.16 18.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -128.65 -31.12 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -124.23 148.01 56.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 54.3 Cg_endo -69.74 129.5 17.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -133.09 157.26 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 20.8 m-85 -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.483 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.3 mp -148.69 129.41 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.3 100.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -94.28 144.9 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.59 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 47.8 t -112.03 94.66 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 67.8 t80 -79.63 169.55 17.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.61 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 59.9 tttt -112.19 127.21 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -115.47 97.51 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 10.7 tm0? -82.67 137.29 34.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.476 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 96.1 m-70 -104.18 141.52 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.51 -59.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -42.29 -42.46 3.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.5 -33.01 1.7 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 83' ' ' HIS . 18.2 tpp180 -59.01 141.95 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 89' ' ' SER . 4.0 p -145.61 132.57 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 88' ' ' VAL . 9.0 t -130.32 160.53 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -109.84 87.78 6.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.671 0.748 . . . . 0.0 110.923 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 109.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.601 ' CD2' ' CG ' ' A' ' 27' ' ' PHE . 7.6 mp -78.22 124.6 28.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.69 158.36 28.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.464 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 18.0 t80 -96.82 110.98 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.9 mt -101.01 101.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -82.77 93.29 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.4 p -69.9 94.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -114.15 101.85 54.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.79 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 102' ' ' CYS . 33.5 m -39.39 -36.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.41 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -78.61 27.94 2.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' PRO . 14.8 p -94.8 161.99 13.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.451 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.6 ptmt -95.85 155.43 38.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.547 0.689 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.15 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.761 2.307 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -40.83 -30.8 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.451 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 29.4 mm-40 -92.45 -48.42 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 4.1 mm100 -42.73 -32.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.77 -53.33 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.0 ttp -55.17 -44.66 75.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 68.9 m-85 -75.42 -44.97 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -49.95 -69.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.17 -56.6 18.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.3 m -49.08 -41.66 36.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.396 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.464 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 11.8 ttpt -48.95 -59.45 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.92 -65.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -44.46 -49.29 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.462 ' N ' HD21 ' A' ' 117' ' ' LEU . 5.7 mt -50.29 -50.97 48.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 71.3 t -52.87 -20.09 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -94.04 -34.45 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 55.0 m -67.39 -44.32 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.404 ' CB ' HD11 ' A' ' 123' ' ' LEU . . . -84.68 -2.45 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 56.47 48.52 16.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.404 HD11 ' CB ' ' A' ' 121' ' ' ALA . 8.6 mt -99.04 132.7 44.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.2 p -92.3 -46.2 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.6 mppt? -82.91 123.25 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -130.81 108.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -113.63 148.07 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -129.38 130.32 45.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 pt -104.63 134.38 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 9.7 ptt-85 -68.95 -29.1 67.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 4.0 m-20 -144.82 138.46 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.7 p -46.87 -35.74 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.23 -36.12 68.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.478 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.59 -41.94 74.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 135' ' ' LEU . 1.8 tt -52.78 95.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 72.7 p -142.26 160.33 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.73 -56.28 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.11 -40.77 67.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.478 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 41.7 t90 -60.95 -42.73 98.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 79' ' ' TYR . 11.4 mt -53.94 -70.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -45.14 -29.6 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -63.57 -45.92 88.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.19 -41.48 73.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.1 -37.23 85.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -114.18 63.34 0.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 35.8 p -117.7 83.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 61.18 140.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 92.56 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.677 2.251 . . . . 0.0 112.307 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.1 t -62.9 120.68 11.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.5 m -113.38 135.26 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -85.83 165.32 16.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -139.26 173.04 11.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.67 -61.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.549 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t 59.79 42.86 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -118.32 130.02 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.15 102.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 t -159.74 112.56 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.03 40.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.2 p -99.25 86.46 3.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt -82.05 141.31 33.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.1 t -108.32 97.89 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.0 t -99.84 130.48 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.66 -174.76 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.472 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.7 m-20 -113.16 172.46 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.406 HG23 ' CG2' ' A' ' 21' ' ' VAL . 35.5 m -106.43 130.64 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.475 ' CA ' HD11 ' A' ' 48' ' ' LEU . . . -72.69 136.91 45.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -50.67 -47.4 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.34 -21.74 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 1.6 tt -91.35 -54.1 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' CG2' HG23 ' A' ' 16' ' ' VAL . 19.4 t -44.59 -54.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -44.38 -41.77 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.492 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 3.4 mtpp -63.13 -48.49 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 121' ' ' ALA . 83.7 mt -56.07 -44.31 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -56.18 -47.88 77.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.5 mmtt -62.82 -37.91 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.88 -49.99 37.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.412 ' CZ ' ' HB2' ' A' ' 92' ' ' LEU . 1.1 mmp_? -66.51 -46.0 77.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -95.4 30.93 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.4 ptm180 -69.93 122.52 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -87.46 37.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.67 152.1 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 m -92.17 -40.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -63.0 175.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.454 ' ND2' ' HH ' ' A' ' 77' ' ' TYR . 5.7 m120 -81.61 178.97 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.86 159.97 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.33 121.69 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.5 mt -110.26 114.04 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 40' ' ' MET . 17.7 mt -92.28 144.26 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.441 ' N ' HG23 ' A' ' 39' ' ' ILE . 12.4 mtm -137.02 147.17 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.28 169.81 16.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -112.59 136.21 49.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.03 -179.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -97.34 -20.43 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.38 -56.05 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -32.17 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 mmt-85 54.83 54.86 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.475 HD11 ' CA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -139.8 132.27 28.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.404 ' N ' HD13 ' A' ' 48' ' ' LEU . 18.6 t -71.34 116.22 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.6 m -124.84 154.4 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.492 ' HG ' ' CD ' ' A' ' 23' ' ' LYS . 3.0 tm? -58.58 130.95 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -98.26 -43.43 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' CG ' ' CD1' ' A' ' 39' ' ' ILE . 14.2 pt-20 -174.31 154.53 2.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.81 120.38 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 9.2 mp -103.31 123.19 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -107.39 150.04 27.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.19 58.88 1.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 14.6 m -115.68 168.32 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -112.12 162.04 23.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.437 ' HB3' ' CD1' ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.8 -17.48 37.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.37 -18.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.52 -26.96 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.6 tp -64.83 -55.45 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -44.94 -33.46 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -82.1 14.16 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' CD2' HG12 ' A' ' 75' ' ' ILE . 42.7 mt -119.05 152.26 51.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.44 27.96 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -103.81 20.95 17.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -134.75 -34.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -118.3 147.44 41.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.54 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.75 131.95 22.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' C ' HD11 ' A' ' 75' ' ' ILE . 12.8 tpp180 -135.43 157.63 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CD2' HD13 ' A' ' 117' ' ' LEU . 22.4 m-85 -99.99 133.37 44.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.476 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 1.1 mp -147.61 131.12 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -112.51 100.06 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.454 ' HH ' ' ND2' ' A' ' 35' ' ' ASN . 68.9 t80 -98.89 155.62 17.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.2 t -125.77 95.02 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 49.4 t80 -63.28 170.44 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 66.0 tttt -116.94 91.66 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.48 100.59 10.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 22.6 tp60 -88.15 139.19 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -105.74 139.25 40.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -47.12 -47.78 23.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 84' ' ' ASP . 5.4 t70 -42.72 -35.49 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.79 -27.44 3.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -78.23 144.38 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.421 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 2.4 p -139.2 130.13 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -120.74 163.03 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -118.96 92.42 45.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.94 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 126.06 12.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.504 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.0 mm? -77.4 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.5 m -130.88 148.43 52.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -99.64 109.44 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.426 HD11 ' CD1' ' A' ' 135' ' ' LEU . 51.5 mt -95.63 101.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.59 89.39 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.3 t -71.58 102.32 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.8 p -126.61 101.28 27.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 102' ' ' CYS . 54.3 Cg_endo -69.69 115.19 3.97 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 130' ' ' ARG . 6.3 t -42.96 -25.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 16.3 8.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' PRO . 12.4 p -97.25 161.57 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 156.03 52.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.558 0.694 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.9 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -43.54 -28.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.484 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 25.2 mm-40 -92.42 -44.73 8.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 5.0 mm100 -45.75 -33.08 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.3 mtm -72.88 -36.88 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.556 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 56.2 ttp -64.68 -44.04 91.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 86.4 m-85 -82.59 -41.04 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -47.27 -69.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.49 -55.68 28.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 m -47.13 -37.3 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' ASN . 14.6 ttpt -52.4 -56.94 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.4 t-20 -34.92 -63.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -45.38 -49.8 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.568 HD13 ' CD2' ' A' ' 74' ' ' PHE . 5.6 mt -49.76 -55.58 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.93 -20.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.72 -33.56 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 74.6 m -71.63 -37.73 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.435 ' HB3' ' CD2' ' A' ' 24' ' ' LEU . . . -88.89 -5.59 57.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 58.23 53.95 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 92' ' ' LEU . 13.2 mt -105.82 138.34 42.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.8 p -99.82 -35.06 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.71 120.83 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.46 107.61 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.497 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 8.1 m-85 -112.56 150.87 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -129.16 140.95 51.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.9 pt -117.99 134.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.574 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 16.3 ptt180 -62.98 -32.65 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.574 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 5.8 m-20 -147.41 144.96 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.5 p -49.15 -29.97 6.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.86 -41.71 87.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -37.8 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.426 ' CD1' HD11 ' A' ' 95' ' ' ILE . 59.4 tp -57.07 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.5 p -141.45 165.16 28.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.17 -59.38 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.9 -41.8 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -59.94 -42.2 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.448 HD12 ' CD1' ' A' ' 79' ' ' TYR . 11.4 mt -55.63 -61.82 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -52.54 -21.87 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.77 -43.5 62.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.497 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.14 -41.42 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.4 mt -71.02 -37.28 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -56.62 -56.99 21.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.1 m -142.58 113.44 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -135.18 -131.34 3.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.78 3.23 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.2 t -79.37 145.68 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 48.2 t -66.39 142.88 57.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -116.2 99.47 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -148.59 122.55 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.62 140.98 11.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -136.0 168.42 19.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -169.24 133.31 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.39 -108.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.2 p -96.58 116.06 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -66.34 81.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -130.71 119.01 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -118.8 167.37 11.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.54 96.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 p -104.5 150.91 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.3 m -135.0 -179.04 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.444 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -100.73 172.27 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.8 m -103.08 119.81 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' VAL . . . -57.36 123.91 17.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.32 -36.27 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.34 74.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 2.4 tp -83.45 -53.38 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 HG12 ' CG2' ' A' ' 120' ' ' THR . 40.5 t -39.78 -49.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.0 pt-20 -43.73 -43.32 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 34.9 mttp -66.82 -51.19 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.4 mt -53.42 -45.32 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -53.55 -47.57 69.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 30.3 mmtt -64.84 -42.35 94.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -39.78 -54.55 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -58.83 -48.69 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -98.01 36.55 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.5 ptm85 -73.17 123.94 24.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -86.01 38.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 10.6 mm-40 -119.22 149.78 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.2 m -91.17 -44.48 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.562 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.3 p-80 -54.45 176.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.56 174.51 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.05 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 55' ' ' LEU . . . -153.2 115.64 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.7 mt -104.43 125.17 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 40' ' ' MET . 18.1 mt -103.61 147.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.466 ' N ' HG21 ' A' ' 39' ' ' ILE . 13.5 mtm -137.6 153.65 49.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 164.75 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.7 mt -119.57 134.61 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.15 -174.19 5.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -103.03 -10.41 18.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -121.15 -46.69 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 47' ' ' ARG . 5.6 mm-40 -61.31 -16.5 46.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.07 38.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.2 tp -147.99 140.06 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 46.2 t -69.36 118.47 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.8 159.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 53' ' ' GLU . 2.9 tm? -68.27 131.96 46.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -100.75 -44.76 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.494 ' N ' HD12 ' A' ' 51' ' ' LEU . 9.1 pt-20 -171.87 166.67 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.7 mt-10 -127.92 132.0 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CD1' HG12 ' A' ' 58' ' ' VAL . 3.3 mm? -105.73 134.75 48.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' GLY . 46.8 mt-10 -120.02 142.43 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.38 49.54 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 55' ' ' LEU . 10.9 m -103.05 179.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -127.38 162.12 50.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.21 -27.27 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -97.19 -31.11 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 28.5 tp -58.37 -52.87 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -49.23 -23.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.17 -32.88 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -84.43 14.14 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.4 mt -122.84 151.54 61.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.24 53.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.57 9.94 23.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 25.5 mtm105 -121.17 -25.88 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -130.13 152.39 80.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 141.91 46.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -143.78 156.88 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 22.3 m-85 -98.26 138.83 34.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.494 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -149.35 131.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.5 99.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -101.58 158.07 16.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t -131.46 94.55 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.575 ' CD1' HD21 ' A' ' 140' ' ' LEU . 56.8 t80 -68.25 169.64 10.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 64.9 tttt -115.17 100.58 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -88.41 98.91 11.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 9.8 tm0? -87.65 133.78 33.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 72.1 m-70 -102.07 132.83 47.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -39.44 -50.39 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -46.23 10.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 146.49 -36.18 1.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.67 139.85 58.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 89' ' ' SER . 3.5 p -142.99 136.24 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.454 ' N ' HG21 ' A' ' 88' ' ' VAL . 48.7 m -133.34 153.03 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 94.41 7.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.35 10.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 27' ' ' PHE . 3.1 mm? -77.36 122.76 25.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.3 m -127.82 153.85 46.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.446 ' HB2' ' CD1' ' A' ' 123' ' ' LEU . 4.5 t80 -102.34 109.32 20.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.09 100.93 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.13 92.68 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.0 t -78.43 102.94 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -122.93 101.22 39.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.5 4.12 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.8 t -43.92 -26.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 22.51 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.06 161.81 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 157.37 58.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -44.8 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -47.56 -25.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -93.98 -40.83 9.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.26 -37.3 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -73.34 -43.55 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.536 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 59.6 ttp -56.63 -33.89 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 64.0 m-85 -93.77 -37.08 11.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -53.92 -69.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.08 -50.75 57.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 m -54.5 -41.19 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.3 ttpt -47.84 -61.13 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.24 -58.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -49.31 -53.68 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.538 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.63 -55.32 11.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 126' ' ' VAL . 79.7 t -45.41 -27.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -89.09 -38.82 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.467 ' CG2' HG12 ' A' ' 21' ' ' VAL . 17.8 m -65.31 -45.21 85.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.97 -1.76 45.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 57.5 48.83 13.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 7.5 mt -98.06 129.42 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.0 p -90.94 -46.93 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -89.36 128.74 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' A' ' 118' ' ' VAL . 79.7 t -129.46 112.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.5 m-85 -116.53 140.71 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -120.83 139.75 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.51 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 22.9 pt -117.36 136.06 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.534 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 20.3 ptt180 -64.9 -32.26 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.534 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 4.6 m-20 -146.64 140.86 26.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -45.03 -33.43 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -54.42 -41.3 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -40.73 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 135' ' ' LEU . 0.3 OUTLIER -56.31 89.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 82.7 p -136.85 163.59 30.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -49.08 -58.1 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -54.07 -51.16 64.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.7 t90 -54.72 -41.48 70.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.575 HD21 ' CD1' ' A' ' 79' ' ' TYR . 11.7 tp -54.21 -65.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -53.65 -27.46 27.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -62.6 -42.66 99.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.9 mmmt -69.66 -39.11 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.7 mt -71.9 -33.99 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.43 49.15 1.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.6 m -106.59 82.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.24 140.9 8.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 91.81 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 t -126.86 149.23 49.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 41.2 t -107.81 144.42 35.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -85.69 125.46 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.391 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 m -91.84 -52.41 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.15 88.4 1.08 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -80.96 140.23 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -119.87 -55.69 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.7 -116.87 0.55 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 p -115.67 132.71 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -153.83 106.74 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m 63.22 44.47 5.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 108' ' ' MET . 11.1 mt -86.46 153.74 21.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.549 ' O ' ' CG1' ' A' ' 12' ' ' VAL . 10.3 p -127.39 95.28 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.23 138.02 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m -129.53 168.91 15.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 12.6 m-20 -95.64 163.93 12.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.5 m -96.12 122.49 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.93 133.41 56.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -49.14 -45.11 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -23.87 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' HD22 ' A' ' 20' ' ' LEU . 1.3 tt -86.15 -55.14 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' LEU . 12.2 t -45.4 -59.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -37.82 -39.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 20.3 mttp -68.75 -42.65 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 21' ' ' VAL . 53.1 mt -62.62 -53.14 59.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -47.9 -50.91 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' ARG . 14.9 mmtt -61.68 -37.05 82.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.56 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -49.29 -55.16 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -63.33 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -95.37 30.2 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.0 ptm85 -66.77 125.22 25.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -93.5 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' A' ' 30' ' ' ARG . 48.3 mt-10 -117.21 177.96 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -115.89 -35.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 32' ' ' GLU . 7.7 p-80 -70.62 176.51 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.439 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.5 m120 -84.87 177.23 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.68 161.68 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.89 120.96 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.39 114.38 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.479 ' CD1' ' CG ' ' A' ' 53' ' ' GLU . 47.1 mt -94.28 146.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.4 mtm -140.79 159.13 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HZ1' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -157.78 170.48 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.36 135.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.02 177.94 6.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -98.24 -56.15 2.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.37 -30.41 63.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 47' ' ' ARG . 7.3 mt-10 -94.08 -17.9 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.61 43.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 9.1 tp -140.05 139.37 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.7 t -67.84 114.93 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 m -122.57 160.38 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 53' ' ' GLU . 1.9 tm? -64.86 127.33 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' N ' ' HZ1' ' A' ' 41' ' ' LYS . 14.7 t0 -91.78 -47.25 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.505 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.1 pt-20 -171.51 144.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -111.67 123.7 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mt -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -122.7 151.04 41.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.68 48.67 28.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.57 176.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.14 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -125.03 161.43 49.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.83 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -15.42 37.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -94.75 -25.89 16.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.19 -24.56 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.54 -51.75 53.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -48.51 -27.98 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.5 -35.93 82.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.26 14.72 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.453 ' CD1' HG12 ' A' ' 75' ' ' ILE . 16.2 mt -118.29 149.77 46.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 127.91 15.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -94.92 7.8 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -123.17 -34.04 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -115.87 143.14 30.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.76 126.23 13.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -129.14 158.01 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 110' ' ' TYR . 23.2 m-85 -98.18 139.91 33.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 0.9 OUTLIER -148.57 146.18 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.495 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 54.4 t -130.85 99.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 82.9 t80 -101.46 154.48 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.5 t -126.34 95.04 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.543 ' CD1' HD21 ' A' ' 140' ' ' LEU . 64.0 t80 -67.43 169.8 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.5 tttt -115.12 99.4 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -89.63 101.78 14.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 83' ' ' HIS . 2.2 tm0? -86.24 135.44 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 82' ' ' GLN . 91.6 m-70 -102.9 134.7 45.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -39.94 -55.15 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.82 -39.26 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.28 -31.68 2.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -69.61 146.95 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.9 p -144.2 130.6 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p -125.48 150.75 47.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -105.1 92.92 5.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 121.16 7.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.314 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.56 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.78 123.85 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.5 m -126.11 159.22 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.416 ' HB2' ' CD1' ' A' ' 123' ' ' LEU . 6.4 t80 -106.49 117.34 33.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.1 mt -107.37 101.8 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.28 91.6 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.445 ' CB ' HD12 ' A' ' 75' ' ' ILE . 46.7 t -69.98 101.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -127.96 102.27 22.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.13 15.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.338 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.8 m -48.45 -32.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.25 2.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.07 158.13 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -86.68 155.39 56.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.47 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -41.26 -30.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.6 mm-40 -88.36 -51.05 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.33 -33.42 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.404 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -83.87 -27.67 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.481 ' HA ' ' CG1' ' A' ' 12' ' ' VAL . 37.4 ttp -68.63 -42.3 78.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 74' ' ' PHE . 57.2 m-85 -83.38 -48.11 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -38.49 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.0 -46.23 9.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -68.01 -25.7 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.7 ttpp -60.08 -58.55 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -35.34 -63.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -50.1 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.16 -51.21 45.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.33 -19.52 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.39 -34.12 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.1 m -70.58 -53.15 17.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -73.44 -6.45 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 58.16 53.49 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -95.48 144.65 25.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.19 -34.18 7.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -103.58 118.27 36.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.38 110.44 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 8.6 m-85 -112.6 154.5 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -130.9 142.86 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.494 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 21.0 pt -117.49 138.2 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -70.06 -26.12 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -153.49 134.34 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 56.2 p -40.53 -29.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.74 -44.89 90.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -52.16 -36.95 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 53.9 tp -61.33 87.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.6 p -130.84 178.18 6.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.4 -62.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -51.5 -56.68 12.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 41.9 t90 -47.69 -33.63 7.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 79' ' ' TYR . 13.8 tp -64.34 -61.8 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -58.38 -17.8 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.92 -41.13 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.506 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.22 -38.41 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 72.5 mt -74.07 -31.44 62.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.47 -48.53 23.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 68.4 m -151.84 107.91 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -96.95 -146.96 21.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.44 21.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.63 2.22 . . . . 0.0 112.372 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.0 t -101.4 126.29 48.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 49.6 m -59.33 147.29 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -120.82 163.35 18.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 p -66.33 167.29 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.04 156.25 20.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -113.6 112.94 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -104.8 149.5 25.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.01 -45.24 0.46 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.6 p -108.12 162.72 13.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -109.54 95.86 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.3 m -127.41 144.72 51.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.4 mt -107.97 145.18 34.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.57 103.6 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 78.5 t -104.01 146.82 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 p -127.96 152.5 47.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -87.88 160.0 18.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG23 ' CG2' ' A' ' 21' ' ' VAL . 32.7 m -92.97 119.38 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 141.65 57.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.3 -46.2 72.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.92 -31.22 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.455 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 10.5 tp -85.01 -52.98 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG2' HG23 ' A' ' 16' ' ' VAL . 29.7 t -44.77 -52.06 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.9 pt-20 -42.61 -44.28 4.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 33.1 mttt -65.01 -53.89 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.2 mt -51.27 -45.47 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -52.7 -46.47 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' ARG . 21.3 mmtm -64.32 -42.06 96.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.4 -49.52 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.47 -50.26 68.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.93 36.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' NH2' ' CD ' ' A' ' 32' ' ' GLU . 4.3 ptm85 -74.55 125.42 28.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -89.66 39.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.49 ' CD ' ' NH2' ' A' ' 30' ' ' ARG . 10.6 mt-10 -118.47 146.3 44.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.9 m -87.02 -39.7 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -60.48 179.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -89.06 175.12 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.45 160.74 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.95 116.82 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 34.1 mt -105.32 119.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.413 HD11 ' CG ' ' A' ' 53' ' ' GLU . 15.6 mt -97.51 140.86 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.455 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 15.0 mtm -136.31 133.79 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -124.5 173.66 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 54.9 mt -118.03 136.98 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.82 -176.57 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -21.53 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -117.76 -51.26 2.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -57.74 -14.92 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.67 46.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tp -145.47 136.49 24.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.95 121.1 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.66 158.04 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 2.4 tm? -71.8 129.78 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' C ' HD13 ' A' ' 51' ' ' LEU . 11.8 t0 -93.97 -47.1 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.3 pt-20 -168.35 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.3 mt-10 -124.5 116.39 22.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 9.4 mp -96.29 124.25 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' GLY . 41.3 mt-10 -110.7 151.79 27.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.77 58.33 1.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 14.2 m -112.6 179.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 p -124.37 157.9 63.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.687 0.756 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.79 -13.19 34.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.97 -28.76 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.37 -33.06 15.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.6 tp -57.07 -50.57 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -49.9 -26.96 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.08 -31.12 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -86.96 12.78 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 33.0 mt -117.38 150.3 46.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.714 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -106.06 11.75 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -123.27 -24.24 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -133.22 149.37 72.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.659 0.743 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.7 137.12 34.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 tpp180 -137.63 156.66 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.53 ' CE2' HD11 ' A' ' 117' ' ' LEU . 23.8 m-85 -98.12 135.3 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 67' ' ' LEU . 3.3 mp -148.46 138.91 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 61.1 t -122.35 99.67 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -103.2 153.84 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -125.75 94.93 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 62.1 t80 -64.54 169.81 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.8 tttt -115.18 104.2 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -89.53 97.39 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 4.2 tp60 -90.5 133.62 34.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -100.47 150.07 23.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -48.71 -59.72 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -42.98 -43.43 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 146.08 -31.49 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.451 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -57.8 137.78 56.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.467 ' HB ' ' NE2' ' A' ' 82' ' ' GLN . 5.2 p -144.96 133.97 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -131.69 153.25 50.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -110.84 89.47 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.958 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 123.17 9.84 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.5 mm? -77.32 125.38 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.8 m -130.97 148.75 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -94.75 113.87 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.2 mt -98.88 101.16 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.12 91.32 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.2 t -72.34 106.38 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -127.33 101.23 25.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.18 22.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 101' ' ' GLY . 35.3 m -51.84 -33.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.448 ' N ' HG22 ' A' ' 100' ' ' VAL . . . -78.62 28.08 2.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.416 ' H ' ' C ' ' A' ' 100' ' ' VAL . 6.6 p -99.9 156.86 16.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 157.42 40.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.539 0.685 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.98 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.65 -28.32 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -93.78 -45.92 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -45.94 -42.49 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.3 mtm -63.51 -38.79 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 ttp -62.46 -57.21 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.46 ' CD1' ' HG2' ' A' ' 72' ' ' PRO . 80.9 m-85 -68.0 -34.86 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.04 -67.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.02 76.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.1 m -56.15 -43.42 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.4 ttpt -45.84 -56.83 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.5 t-20 -35.17 -61.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -47.99 -49.15 31.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.53 HD11 ' CE2' ' A' ' 74' ' ' PHE . 7.1 mt -51.42 -56.68 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.84 -21.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -91.62 -35.51 14.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.8 m -67.33 -46.58 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.94 -2.26 46.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.12 50.99 14.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.2 mt -97.91 127.01 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.0 p -87.68 -45.66 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -86.13 120.47 27.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -123.12 113.02 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 4.3 m-85 -115.21 139.97 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -121.26 140.57 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.9 pt -120.63 128.5 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 131' ' ' ASN . 1.4 ppt_? -80.09 9.85 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -171.75 121.69 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -43.76 -36.46 2.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.57 -40.88 69.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.456 ' OD2' ' CD1' ' A' ' 139' ' ' TRP . 2.2 t70 -53.75 -35.88 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.9 tp -60.76 91.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 64.6 p -140.55 167.56 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.55 -59.65 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.44 -43.13 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.456 ' CD1' ' OD2' ' A' ' 134' ' ' ASP . 65.5 t90 -58.47 -47.25 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 60' ' ' PRO . 11.6 mt -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -54.66 -29.13 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.63 -47.15 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -44.35 88.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.08 -36.85 80.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.86 -41.49 96.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.1 p -170.13 124.52 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -118.48 -137.98 5.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.28 20.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 54.4 m -80.6 95.79 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 97.6 p -80.68 142.03 34.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 t -128.17 42.57 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 m -155.42 152.94 29.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.49 159.51 28.96 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -165.8 142.56 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 110.891 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -87.2 149.32 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.65 158.83 25.2 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 10' ' ' SER . 4.1 t -112.46 172.82 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.827 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 8' ' ' SER . 14.1 pt-20 33.68 34.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 8' ' ' SER . 29.3 t -111.08 90.26 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.93 172.8 7.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -118.76 102.84 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.5 t -96.21 148.44 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.7 m -126.0 -175.67 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.18 162.26 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.1 m -99.48 122.96 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.463 ' CB ' HD23 ' A' ' 48' ' ' LEU . . . -69.02 122.3 18.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.64 -47.7 10.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -46.64 6.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 1.9 tp -79.57 -51.62 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -41.45 -48.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -46.73 -41.34 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 38.0 mttt -60.64 -52.59 64.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.7 mt -54.79 -46.92 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -55.11 -35.39 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ARG . 52.9 mmtt -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 78' ' ' SER . 0.1 OUTLIER -39.2 -55.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -59.82 -46.83 88.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -97.19 32.48 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.2 ptm85 -67.94 125.69 27.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -83.59 40.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -125.45 179.04 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.468 HG23 ' N ' ' A' ' 34' ' ' HIS . 13.7 t -122.68 -24.94 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.468 ' N ' HG23 ' A' ' 33' ' ' THR . 14.2 p-80 -75.04 173.81 10.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -84.07 178.29 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . . . -165.84 168.92 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -152.34 127.32 9.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.6 mt -115.06 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.447 HG23 ' N ' ' A' ' 40' ' ' MET . 23.1 mt -98.91 142.83 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.447 ' N ' HG23 ' A' ' 39' ' ' ILE . 15.3 mtm -132.92 157.09 45.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.48 156.09 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.8 mt -100.32 131.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -69.35 -179.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -94.57 -42.96 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -98.83 -54.18 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -49.89 -37.39 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 52.9 50.1 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 17' ' ' ALA . 1.3 tp -146.84 144.33 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.4 t -74.22 112.44 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.8 m -119.47 167.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 ' N ' ' A' ' 53' ' ' GLU . 2.7 tm? -79.58 127.47 32.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' C ' HD13 ' A' ' 51' ' ' LEU . 5.8 t0 -93.06 -44.95 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' N ' HD13 ' A' ' 51' ' ' LEU . 7.7 pt-20 -168.27 173.0 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.8 mt-10 -140.12 117.06 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 10.9 mp -99.36 135.21 41.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -115.27 152.66 32.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.05 59.34 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 23.2 m -116.26 176.97 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -123.1 159.01 56.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -13.91 35.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.06 -26.48 16.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.97 -31.08 12.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.19 -47.7 84.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -51.66 -25.82 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.81 -36.41 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -81.58 15.08 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.6 mt -119.51 150.38 49.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.54 35.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -106.15 15.4 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.02 -30.74 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -121.54 146.0 44.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -133.78 157.46 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.3 m-85 -98.24 136.98 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 2.5 mp -148.8 135.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.11 100.08 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -97.67 138.4 35.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.587 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 13.7 t -103.88 94.96 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' HD21 ' A' ' 140' ' ' LEU . 89.7 t80 -75.35 169.26 18.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 50.9 tttt -112.76 106.0 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -98.22 100.85 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 21.3 tp60 -81.25 138.31 35.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -100.53 127.03 47.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.69 -45.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.53 -44.1 12.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.495 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 149.45 -39.44 0.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -70.87 150.45 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.422 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 2.5 p -140.61 124.68 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.8 p -117.23 158.29 24.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 1.4 m-85 -106.14 88.74 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 113.25 3.3 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.379 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.574 ' CD2' ' CG ' ' A' ' 27' ' ' PHE . 6.8 mp -79.86 125.21 29.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.1 m -124.25 152.59 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.447 ' HB2' ' CD1' ' A' ' 123' ' ' LEU . 13.3 t80 -93.66 115.05 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.01 101.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.75 93.73 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.421 ' HA ' ' CG1' ' A' ' 129' ' ' ILE . 4.4 t -74.35 103.36 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 82.8 p -124.94 101.26 32.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 125.61 12.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.326 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.1 t -47.82 -26.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.31 20.92 5.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.4 p -100.39 160.42 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -91.63 157.04 42.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -49.04 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.47 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.6 tp10 -42.64 -25.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -92.94 -49.05 6.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 2.2 mm100 -46.17 -28.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.2 mtm -74.71 -47.36 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ttp -60.14 -36.7 78.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -85.39 -45.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -46.3 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.31 -56.95 14.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -48.14 -38.46 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.9 ttpt -54.26 -55.57 26.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.02 -63.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -45.99 -51.97 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.468 ' N ' HD23 ' A' ' 117' ' ' LEU . 5.6 mt -47.72 -54.54 11.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.4 t -49.68 -21.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -95.75 -34.6 11.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.1 m -69.75 -41.83 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.12 -4.24 58.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 57.86 46.13 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 9.3 mt -95.1 126.24 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -88.29 -39.39 14.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.1 mppt? -94.74 123.14 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.71 114.51 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -117.15 138.45 51.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -118.24 129.4 55.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.469 HG21 ' CZ2' ' A' ' 139' ' ' TRP . 13.8 pt -105.91 134.92 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -80.56 4.86 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -172.54 129.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 29.5 p -47.57 -30.67 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.89 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.51 -37.43 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 28.8 tp -59.63 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.7 p -137.4 171.3 14.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.44 -60.64 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.95 -48.49 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.469 ' CZ2' HG21 ' A' ' 129' ' ' ILE . 60.7 t90 -58.08 -45.08 87.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 79' ' ' TYR . 11.6 tp -51.25 -67.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -49.42 -32.23 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.46 -42.58 92.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -71.08 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 87.0 mt -73.28 -36.33 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -84.36 43.9 3.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.3 m -144.49 115.74 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 125.09 140.27 5.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 173.55 10.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.9 m -83.02 127.72 33.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 31.5 p -89.15 119.91 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -137.81 167.68 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 p -66.02 -52.31 50.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.99 -69.17 0.46 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -111.79 80.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -88.61 109.15 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.98 44.66 3.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.6 m -103.5 171.57 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -100.76 91.47 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.5 t -155.41 146.8 22.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.8 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -109.68 169.02 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.9 t -127.18 97.72 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.45 HG22 ' N ' ' A' ' 14' ' ' CYS . 2.5 p -99.02 146.92 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' N ' HG22 ' A' ' 13' ' ' VAL . 87.9 m -130.15 151.7 50.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 8.2 m-20 -84.16 162.22 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.6 m -95.3 116.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.26 139.01 30.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -55.25 -39.41 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.59 -29.02 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 11.0 tp -86.44 -52.16 5.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.6 t -44.41 -54.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.6 -42.1 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.4 mttp -68.47 -43.71 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.48 -47.0 88.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -54.1 -49.25 69.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.2 mmtt -63.06 -42.36 99.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.96 -54.36 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 122' ' ' GLU . 36.4 mmm-85 -63.21 -49.1 75.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.92 32.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.3 ptm180 -63.89 128.36 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 19.84 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.18 -179.39 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -124.1 -28.73 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -69.74 173.84 5.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -77.88 174.79 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -161.17 159.82 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.074 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.19 113.89 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 mt -102.94 121.04 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.477 ' CD1' ' HG3' ' A' ' 53' ' ' GLU . 55.4 mt -100.29 143.46 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.454 ' N ' HG22 ' A' ' 39' ' ' ILE . 12.0 mtm -137.59 152.22 49.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 163.42 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.525 HD12 ' CD1' ' A' ' 110' ' ' TYR . 6.2 mt -117.45 140.72 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -103.63 -179.51 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -76.97 -66.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.79 -40.47 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.2 tp10 -57.77 -33.72 68.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 33.09 34.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 tp -143.3 134.14 25.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.61 109.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 m -112.28 161.32 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 2.3 tm? -67.55 127.94 34.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.435 ' C ' HD11 ' A' ' 51' ' ' LEU . 12.2 t0 -93.54 -45.53 7.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.488 ' N ' HD11 ' A' ' 51' ' ' LEU . 3.2 pt-20 -171.35 152.44 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -115.78 111.18 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' HB3' ' CG1' ' A' ' 58' ' ' VAL . 10.0 mp -96.63 129.69 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 57' ' ' GLY . 24.0 mt-10 -113.86 151.66 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.94 56.34 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 55' ' ' LEU . 11.4 m -112.69 173.13 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -117.39 159.89 39.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -13.99 35.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.741 2.294 . . . . 0.0 112.324 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -29.15 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.48 -29.68 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -62.58 -50.46 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.04 -38.52 88.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.07 14.23 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.4 mt -116.26 144.69 33.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.68 129.99 18.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -98.36 1.99 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -113.56 -25.57 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -129.23 148.63 69.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.554 0.692 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.428 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.76 134.38 27.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 16.3 tpp180 -139.12 156.63 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 19.8 m-85 -98.16 139.35 34.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 2.0 mp -148.36 132.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 60.2 t -116.44 99.9 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -104.69 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.3 t -126.13 95.07 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 55.7 t80 -63.58 167.34 5.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.8 tttt -112.74 94.29 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -84.81 100.59 11.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 23.3 tp60 -91.09 142.05 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -109.61 141.91 41.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ASP . 8.1 t0 -43.34 -58.59 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' ASP . 2.4 m-20 -37.61 -41.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 140.32 -31.22 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 89' ' ' SER . 1.7 tmm_? -67.39 134.85 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.425 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 3.3 p -136.72 129.46 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.408 ' HB2' ' NH1' ' A' ' 87' ' ' ARG . 9.2 t -122.18 162.99 20.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -118.96 92.05 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.9 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 123.49 10.15 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.628 2.218 . . . . 0.0 112.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.557 HD13 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.57 124.04 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 14.2 m -127.43 159.57 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.405 ' CD1' ' C ' ' A' ' 94' ' ' PHE . 4.5 t80 -107.03 111.17 23.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.7 mt -97.8 102.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -84.37 90.99 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.1 p -70.17 107.85 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' ARG . 3.3 t -127.69 101.58 23.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.26 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.5 m -42.69 -32.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.72 2.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.66 160.61 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.464 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.4 ptmt -89.95 154.7 47.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -42.77 -30.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.7 mm100 -90.06 -49.62 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -40.35 -35.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.5 mtm -78.66 -35.09 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.685 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 50.6 ttp -62.21 -35.7 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.685 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 76.1 m-85 -94.86 -40.02 9.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.8 -7.6 12.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.83 -20.73 12.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 110' ' ' TYR . 11.5 ttpt -63.59 -54.72 31.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.2 t-20 -31.91 -56.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -46.91 -54.57 9.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 117' ' ' LEU . 0.6 OUTLIER -46.13 -56.33 5.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.405 HG11 ' CG2' ' A' ' 126' ' ' VAL . 55.8 t -45.15 -27.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -90.55 -36.22 14.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 79.0 m -63.0 -47.43 83.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.11 -2.05 50.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.411 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 15.2 mt-10 59.1 47.47 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.96 137.51 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.5 p -101.65 -25.33 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.1 mppt? -105.23 120.76 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.405 ' CG2' HG11 ' A' ' 118' ' ' VAL . 12.0 t -126.64 113.4 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.517 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 6.8 m-85 -118.62 141.86 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -122.62 127.38 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.568 HG21 ' CZ2' ' A' ' 139' ' ' TRP . 10.8 pt -103.69 129.42 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.424 ' HD2' ' CG ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -59.52 -30.88 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.424 ' CG ' ' HD2' ' A' ' 130' ' ' ARG . 6.2 m-20 -145.9 137.57 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.4 p -48.31 -31.27 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.26 -40.98 75.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.33 -37.55 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 18.8 tp -55.57 96.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.83 175.24 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.57 -61.54 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -50.83 -38.82 51.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.568 ' CZ2' HG21 ' A' ' 129' ' ' ILE . 75.0 t90 -62.87 -44.92 94.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 12.1 mt -53.01 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -55.21 -21.36 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.82 -42.3 63.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.517 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.17 -37.57 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.1 -83.27 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.3 t -100.04 88.97 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -94.07 -147.19 21.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 152.94 69.18 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.7 m -160.25 170.72 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 48.2 t -78.07 118.82 20.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.482 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 t -96.13 130.4 43.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -82.42 157.08 23.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.94 100.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 m -59.48 103.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -99.11 145.46 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.32 48.42 3.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -111.15 93.4 4.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.827 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.96 35.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -119.65 90.32 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.6 mt -101.49 152.95 20.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -115.78 106.95 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.8 t -92.54 136.73 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -108.31 175.0 5.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -108.66 148.27 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.442 HG11 ' CD2' ' A' ' 117' ' ' LEU . 29.4 m -80.75 126.12 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.59 136.0 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.34 -47.58 65.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -30.53 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' CD1' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -81.19 -54.72 5.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' CG2' HG21 ' A' ' 16' ' ' VAL . 24.5 t -41.74 -50.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.6 pt-20 -45.35 -43.53 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 42.0 mttt -64.45 -49.56 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -56.96 -44.71 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -52.99 -48.13 67.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.8 mmtt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.78 -52.66 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.66 -47.35 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -94.08 33.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.9 ptm180 -69.09 121.72 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.79 42.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.5 mm-40 -124.91 177.22 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.0 m -113.56 -42.74 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 8.0 p-80 -55.41 179.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -89.33 -178.91 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.89 159.71 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.05 123.25 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.7 mt -113.43 125.11 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.469 HD11 ' CG ' ' A' ' 53' ' ' GLU . 7.8 mt -108.53 141.88 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 11.2 mtm -129.49 165.56 21.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.22 160.26 32.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.94 149.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -121.35 163.48 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.88 148.21 17.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 39.5 25.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' LYS . 4.0 tp10 -96.03 -34.51 11.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 33.99 34.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.2 tp -151.51 129.92 12.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG12 ' CD1' ' A' ' 20' ' ' LEU . 61.3 t -80.92 111.92 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.81 152.25 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 HD13 ' N ' ' A' ' 53' ' ' GLU . 2.5 tm? -61.61 126.56 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.422 ' C ' HD13 ' A' ' 51' ' ' LEU . 10.5 t0 -87.26 -48.79 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' N ' HD13 ' A' ' 51' ' ' LEU . 6.1 pt-20 -171.38 159.52 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.427 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -120.51 119.66 33.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.5 mt -107.15 138.18 43.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 57' ' ' GLY . 5.3 mp0 -120.46 155.55 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.87 60.12 0.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 m -114.77 -179.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.107 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -126.85 159.76 62.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.4 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -23.1 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.13 -31.89 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 tp -57.95 -55.63 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -46.48 -28.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.58 -36.04 81.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.25 18.86 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' HG12 ' A' ' 75' ' ' ILE . 17.2 mt -124.35 150.82 65.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 144.53 54.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -112.29 9.51 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -119.39 -28.64 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -126.49 150.63 71.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.8 Cg_endo -69.82 135.66 30.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -137.1 156.64 48.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.446 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.2 m-85 -98.7 137.95 36.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 67' ' ' LEU . 2.9 mp -148.64 140.88 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.0 t -126.95 99.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -103.2 157.84 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.4 t -129.27 94.93 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' CD1' HD23 ' A' ' 140' ' ' LEU . 46.8 t80 -64.89 170.63 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.5 tttt -116.79 95.63 5.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -84.51 99.68 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 17.3 tp60 -94.39 134.23 37.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -97.77 149.9 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -47.97 -59.54 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -44.36 -45.78 9.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 151.93 -39.58 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -49.09 131.61 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.422 HG22 ' CA ' ' A' ' 82' ' ' GLN . 4.2 p -144.18 125.78 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p -127.09 158.47 36.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.526 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -111.45 92.51 16.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.925 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 120.86 7.59 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.58 124.3 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.4 m -129.92 152.55 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 6.3 t80 -98.98 111.21 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.4 mt -97.83 100.99 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.8 96.07 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 t -74.84 103.03 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.1 p -122.66 101.49 39.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.684 0.754 . . . . 0.0 110.806 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 129.23 17.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.401 ' C ' ' H ' ' A' ' 102' ' ' CYS . 61.7 t -48.08 -32.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 24.92 2.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.401 ' H ' ' C ' ' A' ' 100' ' ' VAL . 18.3 p -96.45 156.51 16.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.404 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -93.64 158.09 37.25 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.244 . . . . 0.0 112.372 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -42.58 -29.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.404 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 9.7 mm100 -91.5 -47.81 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 3.9 mm100 -44.33 -35.4 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.1 mtm -71.36 -41.61 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.6 ttp -61.74 -46.55 89.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.533 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 85.7 m-85 -77.68 -43.8 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -47.86 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.75 -57.53 12.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.2 m -48.04 -40.34 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 14.5 ttpt -51.17 -57.57 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.68 -61.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -48.85 -48.48 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 16' ' ' VAL . 7.0 mt -51.96 -52.29 51.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.9 t -51.07 -21.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -91.36 -36.19 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 26.3 m -68.69 -45.68 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.3 -3.4 49.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 56.42 53.62 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 11.6 mt -101.71 126.71 48.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -88.13 -44.54 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 127.36 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.61 118.13 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -122.25 143.95 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.65 130.02 52.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.0 pt -106.9 131.85 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.0 ptt-85 -67.46 -23.75 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -144.89 130.26 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 35.7 p -45.25 -33.9 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -58.47 -41.16 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -47.0 -44.7 20.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 28.5 tp -53.59 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.5 p -142.13 154.1 44.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -40.48 -47.98 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -62.14 -57.92 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.444 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 22.5 t90 -49.11 -42.78 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 79' ' ' TYR . 14.2 tp -54.64 -62.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -54.99 -26.43 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -63.9 -47.4 80.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.76 -43.52 98.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.08 -36.49 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.79 -79.75 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.1 p -82.02 40.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -72.6 -131.41 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 151.26 68.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 71.0 m -48.12 103.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.9 m -83.87 100.27 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -136.99 156.51 48.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -123.28 146.12 48.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.43 -41.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 m -78.54 97.35 5.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -162.58 111.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.7 57.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.3 m -159.48 142.01 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.16 92.15 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -127.55 78.79 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -68.7 143.85 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.41 96.9 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 1.1 p -97.49 151.47 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 46.7 m -137.5 -177.81 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -114.55 172.21 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.6 m -101.59 129.04 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.471 ' CA ' HD13 ' A' ' 48' ' ' LEU . . . -67.36 137.63 56.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.39 -43.08 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.19 -23.8 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 tt -87.26 -55.28 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' A' ' 120' ' ' THR . 15.6 t -44.0 -52.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.9 pt-20 -40.5 -46.29 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 52.0 mttt -61.5 -56.21 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.3 mt -49.69 -42.87 46.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -56.01 -45.83 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.1 mmtt -67.38 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -46.13 -53.78 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -63.38 -46.96 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.72 28.51 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.0 ptm180 -64.66 125.79 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -85.38 -5.01 59.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.41 167.95 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 m -110.02 -38.88 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -64.82 173.43 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.44 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.8 m120 -78.29 179.44 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.33 160.95 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.04 114.28 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mt -103.81 120.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.434 HD13 ' CG ' ' A' ' 53' ' ' GLU . 20.2 mt -99.83 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.423 ' N ' HG23 ' A' ' 39' ' ' ILE . 13.6 mtm -137.02 144.26 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HE3' ' CG2' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -130.45 170.43 14.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 42.8 mt -127.19 132.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.19 165.45 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.1 -48.3 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.422 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 6.1 m-20 -64.5 -34.94 79.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 47' ' ' ARG . 44.4 mt-10 -95.47 -17.16 21.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 30.93 41.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.471 HD13 ' CA ' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -147.2 134.5 20.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.403 ' N ' HD12 ' A' ' 48' ' ' LEU . 17.7 t -68.36 122.11 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.419 ' CG2' ' HE3' ' A' ' 41' ' ' LYS . 27.2 m -129.47 154.29 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.499 HD11 ' N ' ' A' ' 53' ' ' GLU . 2.6 tm? -57.82 136.08 56.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' C ' HD11 ' A' ' 51' ' ' LEU . 10.2 t0 -103.97 -47.1 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.499 ' N ' HD11 ' A' ' 51' ' ' LEU . 5.3 pt-20 -171.97 152.88 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 8.1 mt-10 -117.66 120.37 37.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.7 mt -103.26 129.11 50.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -114.32 147.93 38.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.66 54.03 8.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 m -111.81 174.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -119.44 158.34 49.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.466 ' HB3' ' CD2' ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.72 -13.54 34.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.84 -25.67 17.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.96 -29.08 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.1 tp -54.13 -54.5 38.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.25 -28.74 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.41 -31.15 71.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.21 -1.16 57.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 75' ' ' ILE . 32.1 mt -103.0 149.64 37.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 132.87 24.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -101.66 19.51 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -129.39 -30.83 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -127.25 149.9 70.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.2 Cg_endo -69.77 134.54 28.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.421 ' C ' HD12 ' A' ' 75' ' ' ILE . 13.2 tpp180 -137.82 157.11 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.8 m-85 -98.72 138.67 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.534 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -149.03 134.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.52 100.51 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 64.0 t80 -101.9 158.99 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.3 t -134.1 95.07 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 86.8 t80 -72.44 165.31 24.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 58.4 tttt -109.27 106.09 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -95.61 98.62 10.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG3' ' N ' ' A' ' 83' ' ' HIS . 21.3 tp60 -82.66 142.9 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 82' ' ' GLN . 91.3 m-70 -108.79 139.42 43.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.7 -55.5 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -41.0 -39.4 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.01 -28.01 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -69.47 144.25 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.471 HG21 ' CE ' ' A' ' 80' ' ' LYS . 3.3 p -143.99 129.62 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.5 p -126.54 153.13 45.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.601 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 92.33 5.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.721 0.772 . . . . 0.0 110.928 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 121.3 8.01 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.29 . . . . 0.0 112.357 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.569 HD12 ' CD1' ' A' ' 27' ' ' PHE . 1.2 mm? -77.7 126.18 30.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.4 m -128.84 153.67 47.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -104.18 107.94 19.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.83 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -83.74 91.44 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.51 108.23 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.4 p -127.48 100.97 25.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 102' ' ' CYS . 53.9 Cg_endo -69.71 132.46 23.46 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 130' ' ' ARG . 5.0 t -50.96 -30.23 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.59 22.72 4.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 99' ' ' PRO . 31.2 p -92.11 159.09 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.433 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.5 ptmt -95.73 154.92 39.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.59 0.709 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.19 2.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.303 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -48.16 -28.27 2.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.433 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 24.4 mm-40 -93.83 -43.96 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -44.37 -34.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.34 -34.2 61.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.627 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 58.4 ttp -68.5 -37.2 79.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.627 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 83.2 m-85 -88.11 -31.93 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -64.07 -67.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.94 -30.08 59.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 m -77.06 -40.85 44.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.955 0.407 . . . . 0.0 110.849 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.8 ttpt -49.52 -56.71 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.88 -65.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -44.33 -48.66 9.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 117' ' ' LEU . 6.2 mt -50.83 -55.0 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 74.6 t -49.83 -19.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -95.9 -34.63 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.469 ' CG2' HG11 ' A' ' 21' ' ' VAL . 97.6 m -66.46 -42.9 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.25 -4.61 59.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 57.86 50.67 10.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.99 137.28 35.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.1 p -93.83 -50.44 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.0 mppt? -84.4 130.25 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.12 108.47 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 143' ' ' LYS . 2.6 m-85 -110.55 145.08 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -127.87 131.6 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 8.3 pt -111.32 135.38 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.589 ' CZ ' ' ND2' ' A' ' 131' ' ' ASN . 7.1 ppt_? -82.61 4.47 24.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.589 ' ND2' ' CZ ' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -165.6 119.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.4 p -41.08 -33.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.51 -44.74 81.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.562 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.5 t70 -47.53 -41.48 21.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.44 ' C ' HD22 ' A' ' 135' ' ' LEU . 0.4 OUTLIER -57.36 97.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.0 p -142.07 170.57 15.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.88 -62.78 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -49.82 -52.0 35.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.562 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 59.0 t90 -54.57 -38.49 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -51.5 -60.0 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -61.6 -28.48 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.67 -49.59 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 127' ' ' PHE . 6.6 mmmt -64.06 -40.37 96.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.0 mt -66.78 -33.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -102.99 47.83 1.08 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 m -118.85 91.35 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.93 142.28 8.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 117.7 5.24 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.6 p -163.52 156.6 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.3 m -88.4 88.86 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -122.25 91.95 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t -82.67 -59.52 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.69 78.45 1.07 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.6 p -109.83 127.45 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -55.35 147.73 16.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.74 125.11 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 10' ' ' SER . 41.6 t -91.27 115.74 28.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' SER . 10.0 pt-20 32.98 35.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' SER . 19.6 m -89.24 114.34 25.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -112.5 151.05 30.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.7 t -97.57 99.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.3 t -95.68 142.95 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.3 m -123.9 -176.24 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.463 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 4.8 m-20 -107.86 170.0 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG1' HD12 ' A' ' 117' ' ' LEU . 28.1 m -104.87 127.47 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.11 132.82 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.62 -47.36 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -53.43 -31.92 47.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.526 ' C ' ' CD2' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -78.86 -56.69 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 24' ' ' LEU . 4.0 t -45.13 -57.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -39.14 -36.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.495 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -72.31 -39.58 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 21' ' ' VAL . 69.9 mt -67.72 -46.11 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -52.42 -44.3 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.8 mmtp -62.18 -42.4 99.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CG ' ' CD2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -44.68 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.66 -44.36 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -104.25 38.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' LYS . 10.0 ptm180 -67.09 145.25 55.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -97.75 23.57 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.548 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 7.0 mm-40 -111.57 175.66 5.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -125.26 -12.19 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 2.3 p-80 -84.33 168.88 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' ND2' ' HH ' ' A' ' 77' ' ' TYR . 17.3 m120 -69.04 175.22 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.58 167.38 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.32 123.53 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.431 ' CG2' HD23 ' A' ' 51' ' ' LEU . 11.4 mt -110.11 121.21 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.7 mt -103.93 128.5 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.452 ' CE ' HG23 ' A' ' 76' ' ' VAL . 12.4 mtm -119.87 144.04 47.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' CE ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.24 163.78 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.4 mt -114.28 146.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -102.32 164.57 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -85.68 -24.82 26.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.2 -38.97 9.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' ARG . 83.0 mt-10 -87.43 -16.5 34.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 33.17 37.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 7.3 tp -135.91 145.52 46.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.76 127.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.474 HG22 ' CE ' ' A' ' 41' ' ' LYS . 14.7 m -134.94 166.98 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' HG ' ' CD ' ' A' ' 23' ' ' LYS . 3.2 tm? -84.35 117.32 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' HA ' ' CE ' ' A' ' 41' ' ' LYS . 5.4 t0 -78.94 -41.99 28.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' N ' HD12 ' A' ' 51' ' ' LEU . 9.8 pt-20 -172.89 159.51 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -122.07 126.49 48.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.0 mt -109.58 140.2 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -121.24 154.23 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 40.25 50.63 3.66 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.88 172.86 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.159 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.09 161.18 41.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.8 31.57 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -94.61 -25.09 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.13 -27.04 14.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 20.1 tp -64.47 -49.63 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -49.8 -33.27 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.76 -34.27 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -85.74 13.13 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.474 ' CD2' HG12 ' A' ' 75' ' ' ILE . 51.5 mt -114.73 148.71 40.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 123.37 10.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -94.83 10.77 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -122.99 -32.25 3.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -121.79 147.35 48.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.722 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 133.84 26.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -141.43 157.26 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.506 ' CD2' ' CD2' ' A' ' 117' ' ' LEU . 21.2 m-85 -98.21 138.75 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.537 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 0.8 OUTLIER -148.45 129.06 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' CE ' ' A' ' 40' ' ' MET . 53.8 t -113.98 99.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.468 ' HH ' ' ND2' ' A' ' 35' ' ' ASN . 58.4 t80 -92.77 144.06 25.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.583 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 35.9 t -113.03 94.95 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 81.5 t80 -80.16 170.56 16.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 44.9 tttt -115.61 115.93 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -106.2 106.6 17.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -86.54 135.76 33.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.499 ' N ' ' CD ' ' A' ' 82' ' ' GLN . 85.0 m-70 -102.27 132.28 48.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -39.0 -53.16 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.61 -41.04 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.36 -33.45 1.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -70.55 148.59 48.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.461 HG22 ' CE ' ' A' ' 80' ' ' LYS . 2.7 p -142.19 129.46 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -121.25 154.87 35.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.8 OUTLIER -106.82 86.87 2.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.35 5.03 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.597 ' CD2' ' CG ' ' A' ' 27' ' ' PHE . 6.5 mp -81.62 124.67 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 63.7 m -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.417 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 6.2 t80 -111.29 104.21 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mt -93.74 100.92 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -81.33 97.99 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.5 t -80.46 98.83 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.9 p -118.32 101.18 51.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.7 Cg_endo -69.77 114.9 3.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 130' ' ' ARG . 6.9 t -42.19 -25.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.7 15.89 9.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 99' ' ' PRO . 29.5 p -96.61 161.75 13.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.45 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.88 155.96 52.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.59 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.9 tp10 -44.75 -28.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' MET . 6.6 mm100 -91.62 -47.71 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 3.1 mm100 -42.73 -33.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.3 mtm -72.21 -38.95 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.658 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 51.1 ttp -64.92 -44.09 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.658 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 75.1 m-85 -80.57 -41.18 24.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -48.49 -70.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.96 -56.52 23.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -46.91 -40.5 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.0 ttpt -49.69 -63.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.21 -54.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.71 -53.57 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.506 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -47.67 -52.02 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.39 -23.24 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -94.5 -34.07 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.429 ' CG2' HG13 ' A' ' 21' ' ' VAL . 4.6 m -66.48 -40.65 89.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -90.44 -3.63 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.7 48.11 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 10.9 mt -93.83 147.61 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -113.85 -31.1 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.563 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -99.26 113.25 25.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.6 t -120.84 113.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.1 m-85 -121.19 142.81 49.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -122.26 138.09 54.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.483 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 15.5 pt -117.29 135.86 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.585 ' NE ' HD22 ' A' ' 131' ' ' ASN . 17.2 ptt180 -66.95 -30.2 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.585 HD22 ' NE ' ' A' ' 130' ' ' ARG . 1.0 OUTLIER -146.12 144.17 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.0 p -53.61 -32.15 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -60.95 -20.76 62.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -76.03 -35.19 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 13.4 tp -63.72 86.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.9 p -125.75 166.88 16.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.8 -55.75 18.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.57 -52.39 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 32.7 t90 -54.16 -38.53 65.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.557 HD21 ' CD1' ' A' ' 79' ' ' TYR . 18.4 tp -58.26 -70.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.56 -29.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.43 -41.47 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.93 -39.25 87.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.7 -36.4 82.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -116.41 54.79 0.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.2 t -101.48 40.55 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.58 142.47 13.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.14 2.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.8 m -41.68 127.2 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.7 p -99.29 103.46 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.441 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -170.1 146.57 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -67.41 176.65 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.85 141.87 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -161.32 147.89 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -110.74 97.26 6.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.04 65.99 1.87 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t -87.17 91.35 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -169.75 110.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t 65.09 44.09 3.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.88 157.54 34.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -98.67 104.46 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.3 t -96.75 123.88 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 100.0 m -96.08 173.4 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 3.1 m-20 -103.11 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG11 ' CD2' ' A' ' 117' ' ' LEU . 34.3 m -97.2 126.03 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.435 ' CB ' HG12 ' A' ' 50' ' ' VAL . . . -69.38 127.09 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.21 -39.7 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -34.75 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tp -81.88 -51.43 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -45.34 -55.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.39 -42.14 3.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 25.4 mttp -68.46 -45.93 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -59.93 -45.62 92.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 37.2 mtm180 -54.59 -42.57 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 29.4 mmtt -64.21 -37.38 87.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 78' ' ' SER . 0.1 OUTLIER -51.26 -42.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -74.39 -35.38 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.0 m-85 -109.17 37.51 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -86.96 150.17 24.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -114.68 44.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.0 mm-40 -116.5 126.4 53.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.6 m -65.57 -47.98 73.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.415 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 9.1 p-80 -56.56 174.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -89.31 -177.61 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.49 165.91 16.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.61 128.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.9 mt -113.68 115.25 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 22.3 mt -99.86 148.26 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.455 ' N ' HG22 ' A' ' 39' ' ' ILE . 15.1 mtm -139.14 161.71 36.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' HE2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -157.3 169.6 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.552 HD13 ' CD1' ' A' ' 110' ' ' TYR . 15.4 mt -118.36 136.3 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -80.66 -175.42 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -26.03 14.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -112.55 -37.82 4.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' LEU . 61.2 mm-40 -69.39 -19.24 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.5 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.46 35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.6 tp -133.89 142.55 47.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 t -76.44 118.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.435 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.7 m -124.68 157.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 39' ' ' ILE . 1.4 tm? -73.13 123.64 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' N ' HD22 ' A' ' 51' ' ' LEU . 11.7 t0 -83.71 -46.18 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -166.5 162.09 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.08 115.55 22.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.8 mt -96.1 145.77 25.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.04 153.1 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.12 52.96 6.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.2 m -113.65 175.17 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.096 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -124.23 161.64 46.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.68 37.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -95.23 -21.7 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -97.37 -34.35 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -58.49 -50.83 72.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -47.2 -26.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -68.27 -38.8 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -81.52 15.43 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.449 ' CD1' HG12 ' A' ' 75' ' ' ILE . 55.0 mt -120.01 151.76 53.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.24 56.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.264 . . . . 0.0 112.36 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -114.29 9.08 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.446 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 16.8 mtm105 -125.47 -25.61 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -124.93 145.26 49.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.1 29.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.296 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -142.57 157.43 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.525 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.7 m-85 -97.93 139.06 34.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.525 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.43 125.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.1 t -113.06 99.64 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -95.48 150.75 19.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.582 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 43.4 t -117.34 94.99 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CD1' HD22 ' A' ' 140' ' ' LEU . 93.0 t80 -75.21 169.3 18.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 52.3 tttt -114.5 105.37 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -100.02 104.17 15.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.429 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 20.7 tp60 -84.27 140.54 31.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -101.84 131.53 48.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -43.07 -45.71 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 86' ' ' GLY . 0.5 OUTLIER -44.5 -45.7 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 149.44 -34.12 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.465 ' HD3' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -75.86 149.05 37.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' HD3' ' A' ' 87' ' ' ARG . 2.0 p -138.78 128.36 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.6 m -120.15 156.62 30.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 1.3 m-30 -105.43 90.37 3.94 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.67 0.747 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 120.29 7.1 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.569 HD23 ' CD1' ' A' ' 27' ' ' PHE . 6.3 mp -88.8 128.28 35.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -124.09 166.26 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 11.1 t80 -107.4 107.51 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 mt -96.92 101.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -80.48 91.77 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.4 t -72.17 96.64 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.4 p -118.24 101.4 51.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.8 115.43 4.09 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 13.8 t -39.56 -27.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -78.97 17.65 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -95.71 161.92 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -92.1 156.18 42.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.707 . . . . 0.0 110.87 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -49.32 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -42.68 -26.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -92.63 -49.69 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 5.0 mm100 -42.9 -34.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.98 -39.11 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.652 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 29.7 ttp -62.61 -41.37 98.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.652 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 65.0 m-85 -84.96 -44.2 13.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -42.68 -70.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.17 -57.8 6.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 p -48.86 -41.21 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.489 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ttpp -50.29 -62.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -34.57 -56.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -53.86 -50.21 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.454 ' N ' HD21 ' A' ' 117' ' ' LEU . 5.5 mt -48.77 -49.42 38.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.413 HG22 ' NZ ' ' A' ' 114' ' ' LYS . 47.7 t -54.71 -20.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -93.39 -33.34 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 27.6 m -70.96 -45.65 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.96 -3.39 48.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 43.46 20.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 9.8 mt -93.9 135.75 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.5 p -98.65 -35.11 10.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -93.12 121.65 34.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.84 114.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 2.8 m-85 -120.97 152.82 38.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -129.25 140.56 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 18.0 pt -116.71 133.47 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.484 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 16.9 ptt180 -66.2 -29.72 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.484 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 4.0 m-80 -149.22 134.27 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.2 p -42.27 -30.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.77 -43.48 80.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.597 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.43 -39.13 69.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 54.2 tp -55.9 86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' ASP . 80.3 p -132.32 170.6 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -58.8 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -51.12 -46.21 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.597 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 36.8 t90 -61.63 -44.27 97.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.568 HD22 ' CD1' ' A' ' 79' ' ' TYR . 12.0 tp -54.66 -65.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -48.42 -32.42 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.36 -49.0 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.555 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.96 -38.35 90.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.7 mt -74.02 -29.8 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -104.1 48.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.4 m -107.38 42.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 116.48 141.31 7.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 149' ' ' SER . 53.4 Cg_endo -69.77 4.58 2.11 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 148' ' ' PRO . 1.2 t -36.36 121.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 75.7 m -79.3 108.93 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 t -162.89 158.68 22.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -161.33 153.16 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.23 71.16 0.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -58.4 -53.09 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -48.29 161.38 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.08 -92.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 t 42.01 43.03 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -135.08 119.49 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.0 m -100.48 127.75 46.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.17 161.07 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -107.18 98.9 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -86.82 127.71 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.1 m -103.22 -178.29 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.23 157.97 18.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG22 ' CG2' ' A' ' 21' ' ' VAL . 33.8 m -95.44 116.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.82 124.26 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -45.06 -45.78 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -38.49 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.4 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 11.8 tp -79.64 -53.53 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' LEU . 93.1 t -39.41 -60.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' VAL . 5.9 pt-20 -37.34 -38.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -66.95 -43.16 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 21' ' ' VAL . 77.6 mt -63.55 -44.61 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HE ' ' CG1' ' A' ' 21' ' ' VAL . 29.9 mtt180 -51.59 -49.58 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.7 mmtt -62.11 -36.71 82.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CD1' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.86 -46.83 68.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.45 -43.25 70.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.23 37.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -80.73 141.18 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -107.79 41.49 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 9.6 mm-40 -115.78 132.47 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -69.1 -46.21 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.555 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 15.3 p-80 -58.02 175.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -88.21 -176.67 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -165.63 163.14 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.32 121.38 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.9 mt -110.79 119.22 59.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 HD11 ' CG ' ' A' ' 53' ' ' GLU . 21.8 mt -97.87 140.53 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.419 ' CE ' HG21 ' A' ' 76' ' ' VAL . 12.0 mtm -134.46 142.46 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' ' NE ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -133.2 163.74 28.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -108.03 130.32 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -77.28 -175.14 3.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -111.72 -40.35 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.489 ' N ' ' HD3' ' A' ' 44' ' ' LYS . 41.4 m-20 -63.92 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 11.9 mp0 -95.2 -6.35 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER 39.85 54.85 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 tp -120.85 140.14 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.7 t -68.23 113.22 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.1 m -121.89 159.34 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.511 ' C ' ' CD1' ' A' ' 51' ' ' LEU . 2.2 tm? -64.14 125.75 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' C ' HD13 ' A' ' 51' ' ' LEU . 7.2 t0 -93.44 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 51' ' ' LEU . 7.0 pt-20 -174.43 160.0 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.53 122.07 37.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.7 mt -106.54 149.18 27.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -134.1 148.12 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.21 56.07 5.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.62 -179.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -124.04 158.98 58.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -16.65 37.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.39 -23.4 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -94.56 -27.97 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.43 -48.82 79.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HB3' ' CD2' ' A' ' 135' ' ' LEU . 6.4 pttt -51.71 -33.45 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.55 -32.1 73.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.42 13.21 14.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 75' ' ' ILE . 81.1 mt -114.96 152.46 46.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.09 15.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.64 15.86 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 19.1 mtm105 -126.21 -30.81 2.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -125.91 145.68 52.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 74' ' ' PHE . 0.5 OUTLIER -129.2 158.86 37.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' A' ' 75' ' ' ILE . 22.1 m-85 -99.45 139.27 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 75' ' ' ILE . 1.7 mp -148.86 137.95 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.419 HG21 ' CE ' ' A' ' 40' ' ' MET . 92.7 t -119.31 101.43 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -100.17 160.18 14.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -133.49 95.07 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CD1' HD22 ' A' ' 140' ' ' LEU . 79.7 t80 -72.89 169.07 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.7 tttt -111.21 107.86 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -96.0 104.18 16.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 7.4 tm0? -88.07 136.04 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 84.2 m-70 -105.02 131.28 52.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -38.76 -51.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -41.69 3.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.51 -36.12 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 88' ' ' VAL . 1.9 tmm_? -68.16 145.3 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.416 ' N ' ' HD2' ' A' ' 87' ' ' ARG . 5.1 p -144.33 134.95 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.415 ' HB2' ' NH1' ' A' ' 87' ' ' ARG . 9.2 t -129.21 162.85 26.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -112.72 92.51 20.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.76 . . . . 0.0 110.948 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 27' ' ' PHE . 2.8 mm? -77.75 124.42 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.8 m -124.07 155.29 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.526 ' HB3' ' CB ' ' A' ' 126' ' ' VAL . 33.9 t80 -105.31 110.22 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.7 mt -100.68 105.52 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -85.11 90.18 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -67.96 100.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.7 p -121.54 101.69 43.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 123.54 10.23 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 102' ' ' CYS . 27.5 m -45.14 -31.61 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.26 26.3 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' CYS . . . . . 0.402 ' H ' ' C ' ' A' ' 100' ' ' VAL . 14.9 p -99.53 161.82 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -95.51 159.46 32.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -43.06 -30.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -91.26 -47.52 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 4.5 mm100 -44.47 -37.6 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -68.02 -51.66 44.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.7 ttp -56.63 -49.02 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 82.2 m-85 -71.78 -40.66 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -51.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.04 -55.38 28.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 m -50.13 -41.74 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.497 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 18.6 ttpt -49.68 -57.93 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -36.84 -62.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -43.48 -48.97 7.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 117' ' ' LEU . 6.5 mt -50.89 -54.38 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.08 -18.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -95.85 -34.58 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 39.3 m -69.6 -46.54 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.27 -11.37 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 62.01 52.58 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 94' ' ' PHE . 14.2 mt -91.86 162.58 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.0 p -125.75 -18.45 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -125.34 87.6 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.526 ' CB ' ' HB3' ' A' ' 94' ' ' PHE . 1.4 p -106.42 102.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 4.9 m-85 -95.65 165.08 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.29 132.81 30.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 pt -113.77 135.9 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -83.18 6.14 20.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -169.37 128.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.5 p -50.25 -33.91 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.84 -40.82 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -53.43 -37.78 62.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 64' ' ' LYS . 16.5 tp -57.18 95.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.9 p -140.21 165.19 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -50.51 -55.72 14.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.07 -49.01 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . 0.477 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 48.8 t90 -54.13 -47.54 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 79' ' ' TYR . 10.1 tp -49.42 -59.69 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -58.76 -28.81 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.75 -45.32 93.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.4 mt -70.6 -35.71 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -126.36 69.44 0.51 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.7 t -101.58 49.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.43 142.55 7.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 117.54 5.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.305 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 52.2 p -110.2 159.43 17.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 63.7 m -59.17 102.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.816 0.341 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.4 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.1 m-20 -109.84 162.88 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.515 HG21 ' OG1' ' A' ' 120' ' ' THR . 8.5 m -92.41 126.62 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -68.89 134.03 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.11 -36.6 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -29.23 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 40' ' ' MET . 4.1 tp -92.26 -50.4 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 120' ' ' THR . 21.2 t -43.65 -53.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 5.0 pt-20 -43.11 -45.44 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 27.3 mttp -62.66 -47.8 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' A' ' 121' ' ' ALA . 81.4 mt -57.04 -47.22 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -53.58 -47.7 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' ARG . 28.9 mmtt -63.51 -40.12 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.965 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.56 -55.54 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -62.59 -46.45 88.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.799 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -93.79 32.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.634 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 9.5 ptm180 -67.09 136.33 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.79 21.28 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.48 176.55 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.1 m -115.02 -37.19 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -68.22 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -85.04 -179.99 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -162.2 159.89 26.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.87 119.62 6.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.86 119.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.938 HD12 ' HG3' ' A' ' 53' ' ' GLU . 22.3 mt -100.22 149.26 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.465 ' HG2' HD13 ' A' ' 20' ' ' LEU . 14.2 mtm -140.38 151.59 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -144.82 163.2 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.03 139.83 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' A' ' 17' ' ' ALA . 4.8 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG21 HD21 ' A' ' 117' ' ' LEU . 17.3 t -67.99 118.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.06 164.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.771 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.9 tm? -68.8 126.3 29.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.6 t0 -91.93 -45.11 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.938 ' HG3' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 -175.14 159.06 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.95 125.05 42.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.645 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.1 mp -104.96 154.08 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -134.18 144.29 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.18 53.96 5.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.645 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.5 m -110.84 173.43 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -116.89 158.87 42.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.748 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.888 ' HB3' HD23 ' A' ' 140' ' ' LEU . 53.8 Cg_endo -69.75 -13.89 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.389 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.86 -26.05 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.62 -27.98 15.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 75' ' ' ILE . 22.9 tp -58.79 -51.62 69.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -47.34 -29.86 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.04 -39.09 93.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.38 12.29 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD2' HG12 ' A' ' 75' ' ' ILE . 17.5 mt -116.76 150.33 45.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.58 45.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.25 18.3 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 -131.06 -36.42 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -118.98 148.14 44.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.81 132.68 23.76 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 14.5 tpp180 -135.45 157.85 45.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.86 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.2 m-85 -97.98 139.12 34.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.86 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -149.47 125.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.1 t -108.57 99.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -101.77 158.44 16.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -132.08 95.26 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 79.1 t80 -68.53 168.46 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.0 tttt -114.79 99.4 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -106.83 93.04 8.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.919 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.8 Cg_endo -69.69 121.66 8.36 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.965 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.1 mm? -77.73 126.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.479 ' SG ' HD21 ' A' ' 144' ' ' LEU . 3.2 m -131.8 154.59 48.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.867 ' HB2' HD13 ' A' ' 123' ' ' LEU . 5.2 t80 -105.23 115.49 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 135' ' ' LEU . 35.9 mt -102.28 101.98 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -78.61 88.74 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.03 101.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 89.1 p -124.25 101.32 34.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.7 Cg_endo -69.83 128.61 16.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 130' ' ' ARG . 3.5 t -50.73 -26.09 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.46 20.73 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.7 p -99.62 159.62 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 pttt -92.33 156.59 41.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -42.9 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.294 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 2.9 tp10 -48.14 -26.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -93.78 -41.21 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 1.6 mm100 -50.8 -37.23 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.4 mtm -63.26 -40.87 98.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.535 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 63.4 ttp -64.95 -56.82 10.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.9 m-85 -66.06 -33.13 75.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -61.4 -63.96 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.68 -33.19 84.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.9 m -71.57 -40.42 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.973 0.416 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.5 ttpt -49.65 -60.66 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.7 -62.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -45.7 -51.2 12.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 74' ' ' PHE . 7.0 mt -48.9 -55.85 10.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.6 -23.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -89.1 -35.72 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.643 HG23 HG13 ' A' ' 21' ' ' VAL . 2.8 m -67.74 -49.94 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.598 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -79.59 -4.84 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.89 46.29 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.867 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.1 mt -90.68 132.91 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.0 p -91.88 -41.39 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 1.9 mppt? -93.48 127.34 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.4 t -133.0 106.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -112.45 152.98 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -129.94 141.9 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 5.6 pt -119.25 136.55 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 100' ' ' VAL . 34.3 ptt180 -76.71 -10.08 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -156.83 131.47 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.4 p -50.23 -31.32 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -41.36 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.06 -40.64 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 95' ' ' ILE . 59.7 tp -58.43 95.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.2 p -138.77 174.12 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -54.77 -58.98 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 138' ' ' GLU . 1.4 tm-20 -52.38 -57.38 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 21.6 t90 -51.7 -29.49 18.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.888 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -61.94 -62.58 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -58.76 -20.47 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -66.43 -44.77 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -67.96 -41.27 82.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.479 HD21 ' SG ' ' A' ' 93' ' ' CYS . 54.1 mt -69.03 -28.13 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.89 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.49 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.6 m-20 -107.88 163.4 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.56 HG21 ' OG1' ' A' ' 120' ' ' THR . 13.7 m -98.29 118.92 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.612 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -60.16 133.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -52.59 -41.48 63.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -54.39 -41.42 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 51' ' ' LEU . 1.7 tp -75.68 -50.17 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.632 HG22 HG21 ' A' ' 120' ' ' THR . 85.8 t -43.14 -61.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.33 -36.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 1.008 ' HD2' HD23 ' A' ' 51' ' ' LEU . 17.0 mttp -73.36 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 21' ' ' VAL . 59.4 mt -77.5 -48.49 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' CD ' HG12 ' A' ' 21' ' ' VAL . 14.6 mtp85 -49.85 -45.92 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' ARG . 20.4 mmtt -61.84 -39.94 93.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -54.73 6.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -64.8 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 1.8 m-85 -87.99 23.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.2 ptm85 -69.75 150.22 47.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -124.26 38.79 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.01 180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -115.61 -37.53 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -66.36 -177.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -93.19 172.78 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.69 157.74 34.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.714 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.88 118.44 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.733 HG23 HD13 ' A' ' 51' ' ' LEU . 6.2 mt -109.08 115.2 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 51' ' ' LEU . 15.0 mt -97.43 139.64 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.0 mtm -127.39 158.37 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 151.61 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 49' ' ' VAL . 10.4 mt -102.77 131.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 ' HB2' ' A' ' 17' ' ' ALA . 7.7 tp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 42' ' ' ILE . 42.3 t -93.07 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.7 m -118.51 161.45 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.008 HD23 ' HD2' ' A' ' 23' ' ' LYS . 4.6 tp -80.75 121.09 25.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.592 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.5 t0 -72.47 -54.25 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -166.86 146.48 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.823 ' HG3' HD21 ' A' ' 51' ' ' LEU . 4.6 mt-10 -95.46 133.74 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.783 ' HB3' HG11 ' A' ' 58' ' ' VAL . 50.1 mt -115.01 107.54 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -99.53 154.95 17.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.35 58.76 4.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.783 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.0 m -120.23 177.72 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -123.48 159.23 56.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HB3' HD22 ' A' ' 140' ' ' LEU . 53.9 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.37 -22.7 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -97.36 -33.39 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.91 -46.38 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -54.2 -26.58 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.5 -34.19 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -83.74 14.95 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 75' ' ' ILE . 44.0 mt -119.2 150.33 48.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.0 46.84 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.48 8.75 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -120.45 -18.66 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -136.58 149.78 68.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 135.65 30.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.319 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -142.13 155.51 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.859 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.0 m-85 -98.65 138.46 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.859 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.39 125.67 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.414 ' CG1' HD21 ' A' ' 123' ' ' LEU . 94.8 t -107.94 99.74 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -99.06 159.88 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.0 t -132.29 95.14 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.508 ' HB2' HD21 ' A' ' 140' ' ' LEU . 66.1 t80 -70.24 161.13 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -103.03 101.16 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -106.28 90.3 4.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.3 Cg_endo -69.75 122.09 8.77 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.02 HD11 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -77.76 128.9 34.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.09 154.83 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.851 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.1 t80 -104.61 107.81 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mt -93.39 101.79 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.55 ' CZ ' ' OG ' ' A' ' 98' ' ' SER . 5.4 t80 -79.26 89.52 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.3 t -71.37 99.74 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.55 ' OG ' ' CZ ' ' A' ' 96' ' ' PHE . 3.7 m -120.24 101.16 47.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.8 Cg_endo -69.74 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 t -40.99 -27.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -80.52 20.74 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -96.53 161.42 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.9 ptmt -91.35 155.67 44.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.4 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.9 -28.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.418 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 10.6 mm100 -93.22 -46.65 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.3 mm100 -44.1 -34.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.6 mtm -69.2 -45.18 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.514 ' HE3' HD12 ' A' ' 42' ' ' ILE . 31.5 ttp -59.84 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -73.49 -39.03 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.27 -69.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.58 65.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.0 m -51.92 -38.74 57.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.2 ttpp -51.85 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.0 t-20 -34.35 -50.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.539 ' HE2' HG22 ' A' ' 16' ' ' VAL . 5.3 tttt -54.72 -53.82 49.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.599 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -47.67 -52.93 16.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.414 HG21 HG21 ' A' ' 126' ' ' VAL . 56.1 t -46.69 -23.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -91.81 -35.11 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.632 HG21 HG22 ' A' ' 21' ' ' VAL . 19.4 m -69.78 -42.69 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.49 -1.97 54.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 58.74 44.43 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' A' ' 94' ' ' PHE . 14.5 mt -89.73 138.01 31.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -95.88 -46.73 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -93.79 138.14 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 94' ' ' PHE . 38.6 t -139.07 110.56 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.2 m-85 -113.44 152.69 29.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -128.67 143.33 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 3.8 pt -124.17 134.2 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -65.01 -27.26 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -147.41 143.79 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.8 p -56.04 -21.66 23.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.68 -40.2 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' THR . 1.4 m-20 -56.79 -38.04 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 7.4 tp -56.34 84.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' ASP . 62.4 p -128.33 164.92 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -49.98 -54.85 17.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -53.63 -48.96 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.458 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 31.6 t90 -59.46 -35.62 74.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 79' ' ' TYR . 10.9 tp -58.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -54.99 -20.86 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.8 -41.64 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.9 mmmt -71.03 -37.04 72.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.48 -37.0 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.702 ' N ' ' HG ' ' A' ' 113' ' ' SER . 84.5 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.15 158.61 19.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG12 HD22 ' A' ' 117' ' ' LEU . 25.7 m -90.15 128.7 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.86 131.47 45.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.83 -36.9 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -36.33 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -81.72 -52.74 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 17' ' ' ALA . 55.1 t -38.74 -54.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.69 -39.94 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 23.4 mttp -64.59 -50.72 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.66 HD13 ' HB2' ' A' ' 121' ' ' ALA . 87.0 mt -59.17 -40.13 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -54.24 -47.01 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.8 mmtt -64.4 -41.69 96.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.911 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.88 -53.63 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -61.79 -48.96 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -94.94 35.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.558 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 8.6 ptm180 -69.75 124.96 25.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -89.76 25.29 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -106.47 170.77 7.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.499 HG23 ' OH ' ' A' ' 90' ' ' TYR . 98.9 m -108.94 -43.16 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -55.88 179.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -89.29 176.89 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.558 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -160.23 160.61 32.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -155.88 114.03 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 mt -104.27 117.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 53' ' ' GLU . 12.8 mt -98.09 141.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.0 mtm -132.96 144.72 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 160.22 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mt -116.69 129.18 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.853 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD23 ' HB2' ' A' ' 17' ' ' ALA . 2.6 tp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 117' ' ' LEU . 25.7 t -71.56 112.83 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.41 164.77 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.796 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.9 tm? -70.1 122.47 19.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' HD13 ' A' ' 51' ' ' LEU . 9.6 t0 -88.21 -44.75 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.876 ' HG3' HD12 ' A' ' 39' ' ' ILE . 9.5 pt-20 -176.07 149.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -111.01 123.34 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HB3' HG11 ' A' ' 58' ' ' VAL . 32.9 mt -108.22 144.41 35.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 58' ' ' VAL . 69.2 mt-10 -128.61 152.05 48.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.6 57.3 1.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.52 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.8 m -114.48 176.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.16 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -123.03 160.84 47.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.62 36.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -93.26 -30.81 14.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -93.83 -25.26 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 55' ' ' LEU . 12.1 tp -66.5 -53.62 32.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.6 pttp -48.87 -32.4 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.01 -33.18 74.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.95 17.57 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 64' ' ' LYS . 17.1 mt -122.97 152.0 62.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 132.07 22.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -101.89 21.32 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -128.83 -32.22 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -124.87 150.93 67.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.79 132.31 23.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -133.54 156.76 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.779 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.0 m-85 -99.2 135.99 39.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.779 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.9 mp -148.84 130.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.7 t -110.35 99.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -100.34 158.84 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 t -132.98 95.05 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.9 t80 -67.48 170.61 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 61.3 tttt -114.38 104.31 11.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -116.31 93.54 39.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.709 0.766 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.78 120.7 7.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.911 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.6 mm? -77.61 124.22 27.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.3 m -129.01 158.8 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.693 ' HB2' HD13 ' A' ' 123' ' ' LEU . 14.6 t80 -103.78 109.24 20.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.403 HD13 HD13 ' A' ' 135' ' ' LEU . 72.0 mt -96.11 101.27 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.69 91.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 94.1 p -75.15 97.53 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.41 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 23.1 t -120.27 101.23 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.694 0.759 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.7 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 t -50.05 -24.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.3 21.66 4.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.0 p -103.89 160.27 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 156.07 58.94 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.62 -29.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -92.28 -45.89 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.4 mm-40 -42.54 -34.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.28 -46.02 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.3 ttp -58.62 -36.14 73.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.459 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 71.7 m-85 -87.59 -40.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.61 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.52 52.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.702 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 40.7 m -52.11 -38.54 57.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.904 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.501 ' NZ ' HG11 ' A' ' 126' ' ' VAL . 13.3 ttpp -51.32 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.8 t-20 -34.88 -62.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -45.01 -48.79 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.494 HD21 HG21 ' A' ' 49' ' ' VAL . 8.0 mt -52.69 -55.76 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.22 -25.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -88.18 -34.99 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.0 m -68.48 -55.24 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -70.93 -4.0 22.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 58.68 45.78 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 94' ' ' PHE . 8.8 mt -93.28 128.61 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.1 p -88.45 -46.19 9.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -90.66 127.01 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.501 HG11 ' NZ ' ' A' ' 114' ' ' LYS . 61.9 t -128.86 111.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 5.4 m-85 -114.56 145.91 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 141.25 52.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 11.2 pt -118.85 133.49 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 9.5 ptt-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 10.2 m-20 -147.78 137.4 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.5 p -48.15 -27.8 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.7 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.84 -35.47 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 45.3 tp -59.67 94.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.1 p -139.6 165.87 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.43 -61.1 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -49.34 -40.25 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.57 -45.17 95.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.59 -62.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -53.42 -22.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.36 -47.96 58.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -64.28 -43.27 95.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -39.34 88.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' N ' ' HG ' ' A' ' 113' ' ' SER . 3.5 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.491 ' CB ' HD11 ' A' ' 48' ' ' LEU . 5.6 m-20 -106.01 158.9 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 117' ' ' LEU . 27.8 m -85.98 128.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -63.14 141.23 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.22 -25.56 67.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.5 OUTLIER -83.17 -55.07 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.4 t -40.1 -59.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.1 pt-20 -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 mttp -64.67 -38.55 91.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' VAL . 80.5 mt -70.9 -44.11 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -53.05 -47.73 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.1 mmtp -60.13 -37.97 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.901 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -50.33 -48.27 55.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.475 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.59 -44.41 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.47 35.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -79.36 141.8 36.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -109.33 36.41 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.4 mm-40 -109.1 141.39 41.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -78.97 -41.37 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.2 p-80 -63.35 176.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -84.42 -179.94 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.41 160.55 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.739 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -153.45 123.19 6.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.734 HG23 HD23 ' A' ' 51' ' ' LEU . 10.8 mt -114.27 119.5 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HD22 ' A' ' 51' ' ' LEU . 30.1 mt -101.33 126.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.886 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.3 mtm -114.81 147.35 39.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -147.26 156.29 42.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.8 mt -106.45 144.72 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.491 HD11 ' CB ' ' A' ' 15' ' ' ASP . 10.2 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 117' ' ' LEU . 11.7 t -68.66 139.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.621 HG23 ' HD3' ' A' ' 41' ' ' LYS . 31.1 m -145.42 164.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.734 HD23 HG23 ' A' ' 38' ' ' ILE . 2.8 tm? -85.63 118.75 25.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.489 ' CB ' ' HE2' ' A' ' 41' ' ' LYS . 15.5 t0 -77.72 -44.4 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -168.12 160.71 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -123.28 125.76 45.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.739 HD12 ' HB3' ' A' ' 37' ' ' ALA . 7.7 mt -106.19 150.23 26.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -130.34 145.86 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.7 51.58 10.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.659 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.1 m -106.73 177.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -124.17 161.42 47.42 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.645 0.736 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.675 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.71 -17.38 37.84 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.86 -28.91 18.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -95.41 -23.94 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.05 -49.1 77.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.39 -31.82 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.82 -29.13 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -91.45 14.61 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 75' ' ' ILE . 30.1 mt -119.65 149.55 48.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.548 0.69 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.14 39.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.95 20.36 18.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 -33.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -123.31 149.49 57.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 134.61 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -139.32 158.89 43.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.71 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.8 m-85 -98.45 138.97 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.71 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.2 mp -147.85 128.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.597 HG23 ' HE2' ' A' ' 40' ' ' MET . 53.5 t -112.46 99.94 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -104.61 152.98 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.472 ' OG ' HD22 ' A' ' 92' ' ' LEU . 20.3 t -122.99 94.93 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.443 ' HB2' HD13 ' A' ' 140' ' ' LEU . 64.3 t80 -67.54 162.59 23.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.5 tttt -107.63 98.71 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.427 ' HD2' HD13 ' A' ' 144' ' ' LEU . 1.6 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -105.71 90.21 4.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.688 0.756 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.5 Cg_endo -69.81 124.92 11.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.901 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.7 mm? -77.5 127.35 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 m -129.4 159.81 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.641 ' HB2' HD13 ' A' ' 123' ' ' LEU . 3.9 t80 -109.5 110.06 21.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.17 103.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -83.7 89.81 7.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 t -70.96 106.32 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -128.4 101.29 21.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.7 Cg_endo -69.76 115.38 4.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 100' ' ' VAL . 4.2 t -44.1 -23.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.85 15.82 9.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.2 p -99.8 161.79 13.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.44 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.2 155.41 54.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.76 3.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 4.6 tp10 -48.08 -27.21 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.7 mm-40 -92.84 -46.22 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -42.96 -37.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 mtm -71.54 -34.98 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.6 ' HE2' ' CE1' ' A' ' 110' ' ' TYR . 54.7 ttp -64.23 -35.31 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.6 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 79.4 m-85 -92.69 -32.56 14.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.5 -65.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.45 -49.43 64.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.467 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 5.7 m -58.43 -40.84 83.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.84 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 12.6 ttpt -48.77 -59.97 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.4 -65.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -44.1 -48.71 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 49' ' ' VAL . 6.1 mt -50.66 -54.89 19.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.61 -19.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -96.09 -30.75 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 -47.97 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.54 -7.41 56.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 62.27 45.79 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.2 mt -95.11 132.86 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.2 p -92.44 -38.94 11.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.23 128.61 39.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.78 108.51 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 3.5 m-85 -114.45 151.06 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -129.39 140.31 51.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.97 137.92 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 18.2 ptt180 -70.62 -29.86 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 1.7 m120 -144.8 139.73 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.6 p -49.62 -27.63 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.1 -33.25 75.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.81 -37.73 77.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.8 tt -55.23 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.75 165.45 27.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.53 -59.05 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.88 -39.29 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.22 -42.2 99.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 79' ' ' TYR . 11.9 mt -55.78 -62.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -52.43 -27.73 17.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.35 -46.32 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.96 -43.07 88.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.427 HD13 ' HD2' ' A' ' 81' ' ' TYR . 72.7 mt -63.56 -39.11 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.675 ' HB2' HD11 ' A' ' 48' ' ' LEU . 8.4 m-20 -94.93 172.46 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG1' HD22 ' A' ' 117' ' ' LEU . 23.9 m -98.3 124.11 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.436 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -61.85 134.02 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -49.05 -45.35 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -27.21 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.9 OUTLIER -83.94 -54.01 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.558 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.4 t -45.94 -58.91 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 5.7 pt-20 -38.55 -40.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.5 mttp -63.98 -53.16 54.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 121' ' ' ALA . 92.8 mt -57.23 -38.23 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -55.55 -44.91 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.0 mmtp -67.96 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.89 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.69 -53.32 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.5 mmm180 -62.88 -46.01 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.7 33.64 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 7.8 ptm180 -72.78 128.52 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -92.92 37.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -114.46 160.82 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -101.91 -34.19 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -69.33 173.51 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 35' ' ' ASN . 0.7 OUTLIER -84.05 175.45 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -160.64 162.74 32.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -151.53 119.69 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mt -107.53 114.81 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.891 HD12 ' CG ' ' A' ' 53' ' ' GLU . 26.7 mt -96.31 146.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.681 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.8 mtm -138.51 160.34 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 162.94 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 110' ' ' TYR . 64.5 mt -108.2 132.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 15' ' ' ASP . 2.6 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.631 HG12 ' CD1' ' A' ' 20' ' ' LEU . 21.5 t -68.68 122.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -127.94 155.05 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.4 tm? -57.03 128.01 34.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.533 ' N ' HD13 ' A' ' 51' ' ' LEU . 11.6 t0 -93.82 -45.64 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.891 ' CG ' HD12 ' A' ' 39' ' ' ILE . 10.0 pt-20 -175.29 151.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -115.19 129.49 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.624 ' HB3' HG11 ' A' ' 58' ' ' VAL . 41.0 mt -113.03 147.9 36.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.46 146.47 52.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 47.11 53.94 10.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 55' ' ' LEU . 15.0 m -114.83 169.68 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -117.15 159.59 40.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.693 0.759 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.915 ' HB3' HD23 ' A' ' 140' ' ' LEU . 53.3 Cg_endo -69.76 -12.91 33.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -95.2 -28.24 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -96.64 -28.18 14.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.48 -46.99 83.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.4 pttp -50.42 -36.55 33.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 5.3 t0 -56.6 -36.24 69.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -85.17 20.47 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 64' ' ' LYS . 26.5 mt -126.05 148.74 64.17 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 125.54 12.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -95.26 11.87 30.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -121.83 -36.11 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -119.18 147.58 43.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.79 130.48 19.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -133.65 157.1 46.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.881 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.9 m-85 -98.5 138.24 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.881 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.5 mp -149.74 132.61 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 100.1 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -101.13 158.78 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.507 ' OG ' HD22 ' A' ' 92' ' ' LEU . 25.8 t -133.01 95.23 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 87.0 t80 -70.55 168.84 15.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 65.2 tttt -111.99 104.99 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 25.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -102.87 95.85 6.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.739 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 89' ' ' SER . 53.8 Cg_endo -69.78 120.2 7.02 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.2 mm? -77.44 122.6 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 m -125.54 166.99 15.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.94 ' HB2' HD13 ' A' ' 123' ' ' LEU . 5.3 t80 -118.02 106.69 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.481 HG21 HD13 ' A' ' 135' ' ' LEU . 36.1 mt -94.2 101.81 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.82 86.53 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 t -64.45 106.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 11.1 t -132.61 101.26 14.42 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.691 0.757 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.76 133.77 26.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 130' ' ' ARG . 3.2 t -53.59 -26.48 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.72 21.1 5.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.1 p -99.05 155.72 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 156.58 51.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.76 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -45.9 -25.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.0 mm100 -93.37 -48.04 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -44.17 -34.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -30.16 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' GLN . 44.5 ttp -68.46 -34.76 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 66.2 m-85 -94.33 -29.64 14.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -56.48 -62.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.08 -46.54 69.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -38.14 90.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.895 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 115' ' ' ASN . 9.3 ttpt -49.7 -62.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.1 t-20 -35.47 -58.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -49.5 -50.39 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.477 HD22 ' CG1' ' A' ' 16' ' ' VAL . 5.5 mt -49.67 -50.82 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.61 -19.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.02 -34.42 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.558 ' CG2' HG13 ' A' ' 21' ' ' VAL . 41.3 m -67.21 -41.76 85.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.67 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -89.2 -2.42 58.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 56.36 49.69 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.94 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.6 mt -95.05 136.36 35.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.1 p -95.09 -48.04 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 124.25 33.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.23 109.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 10.4 m-85 -110.06 148.32 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -127.24 127.94 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 135' ' ' LEU . 14.8 pt -102.12 139.39 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -77.64 -5.95 52.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -171.53 137.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.8 p -45.83 -34.14 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.8 -39.84 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.441 ' OD1' ' NH2' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -57.65 -39.08 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 95' ' ' ILE . 65.9 tp -60.95 92.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 60.2 p -138.88 170.52 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.91 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -49.85 -49.63 48.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.463 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 49.5 t90 -58.14 -37.87 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.915 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -53.02 -59.52 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -62.15 -25.5 67.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.97 -48.19 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 6.4 mmmt -64.47 -42.82 95.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.9 mt -69.65 -34.11 73.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 2.6 m-20 -110.54 172.84 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.518 HG22 ' HE3' ' A' ' 116' ' ' LYS . 30.5 m -108.76 117.94 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -58.7 129.58 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.59 -35.06 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.78 -30.23 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 14.1 tp -87.89 -51.98 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.545 HG22 HG21 ' A' ' 120' ' ' THR . 58.0 t -42.67 -54.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.95 -41.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.486 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.6 mttp -66.06 -53.8 33.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' A' ' 121' ' ' ALA . 77.0 mt -52.78 -43.71 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -53.38 -46.03 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.9 mmtp -65.28 -42.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.929 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.68 -56.87 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 5.6 mmm180 -60.06 -47.8 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.94 35.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.2 ptm180 -69.38 123.44 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 41.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 9.9 mm-40 -122.28 -178.13 3.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.3 m -121.92 -39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.22 169.27 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -73.79 177.7 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.55 154.16 13.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.783 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.55 113.89 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -103.3 119.95 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.887 HD12 ' HG3' ' A' ' 53' ' ' GLU . 14.8 mt -98.84 143.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 15.9 mtm -135.57 161.62 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 173.09 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 49' ' ' VAL . 43.5 mt -116.95 133.53 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.864 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.561 ' N ' HD13 ' A' ' 48' ' ' LEU . 19.2 t -71.68 122.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -124.42 166.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.9 tm? -73.82 123.75 24.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' HD13 ' A' ' 51' ' ' LEU . 13.0 t0 -89.2 -44.94 9.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.887 ' HG3' HD12 ' A' ' 39' ' ' ILE . 5.9 pt-20 -171.96 170.28 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.16 127.33 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.783 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 1.7 mm? -103.08 133.81 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 mt-10 -119.29 143.2 47.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 34.92 52.77 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.71 HG11 HD12 ' A' ' 55' ' ' LEU . 12.0 m -106.39 176.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 162.95 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.664 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.4 Cg_endo -69.77 -12.52 33.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.73 -26.5 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -96.7 -27.38 14.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.42 -48.61 74.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -53.99 -24.4 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.05 -28.49 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -89.28 13.33 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 75' ' ' ILE . 13.6 mt -120.13 151.24 52.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.41 16.15 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -128.49 -29.34 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -126.17 151.36 71.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.4 Cg_endo -69.77 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -139.21 157.87 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.78 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.6 m-30 -98.63 136.59 38.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.0 mp -149.1 131.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.57 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -102.22 155.85 17.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.603 ' OG ' HD22 ' A' ' 92' ' ' LEU . 22.2 t -131.23 94.8 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.483 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 75.5 t80 -69.27 169.34 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 58.0 tttt -113.69 107.84 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -103.48 95.25 6.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.77 120.91 7.62 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.929 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.59 122.49 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.12 157.46 41.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.8 t80 -103.14 110.47 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.46 100.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -81.92 93.6 6.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 59.8 p -73.11 98.67 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 p -119.83 100.98 48.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 115.47 4.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.42 ' H ' HG23 ' A' ' 100' ' ' VAL . 8.3 t -43.72 -25.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.92 21.15 4.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.4 p -102.62 161.81 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 156.59 51.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -47.68 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.256 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -44.79 -27.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 109' ' ' MET . 9.1 mm100 -91.94 -48.15 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 7.0 mm100 -42.96 -34.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.548 ' HE2' ' CE1' ' A' ' 110' ' ' TYR . 13.4 ttp -62.36 -38.57 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.548 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 90.1 m-85 -90.99 -31.36 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -58.37 -69.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.68 -42.59 85.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -62.7 -40.75 98.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.6 ttpt -47.79 -57.56 5.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.03 -63.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' A' ' 16' ' ' VAL . 1.5 tttp -45.38 -50.72 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.684 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 6.4 mt -50.43 -56.51 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -47.7 -21.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.545 HG21 HG22 ' A' ' 21' ' ' VAL . 25.7 m -67.08 -44.15 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.739 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -82.04 -4.85 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 61.54 49.66 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.4 mt -102.9 132.91 48.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 45.9 p -94.0 -45.43 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -85.13 124.52 31.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.19 113.06 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 7.6 m-85 -116.74 146.2 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -125.99 131.14 52.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 44.3 pt -104.43 137.96 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -65.19 -30.64 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.45 142.42 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 38.2 p -44.55 -32.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.46 -40.15 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.8 t0 -54.26 -41.03 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.5 tt -50.04 94.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.8 p -141.86 156.27 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -48.79 -54.78 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 20.1 t90 -62.48 -43.53 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.38 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -50.26 -29.29 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.46 -44.13 95.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 23.2 mt -66.62 -37.66 85.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.508 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.674 ' HB2' HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -102.79 170.8 7.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -103.18 121.9 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.77 126.34 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.37 -49.68 53.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -35.08 22.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 50' ' ' VAL . 1.7 tp -82.27 -52.63 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ALA . 51.9 t -39.58 -53.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.9 -38.29 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.541 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.4 mttp -67.71 -37.93 82.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.657 HD11 ' SD ' ' A' ' 40' ' ' MET . 74.7 mt -72.56 -48.54 39.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' HG12 ' A' ' 21' ' ' VAL . 54.5 mtm180 -50.82 -48.57 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -58.65 -38.05 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.13 -54.13 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.73 -45.48 89.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.79 34.7 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -70.66 122.95 20.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.3 pptp? -89.32 32.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 65.3 mm-40 -113.18 166.71 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -105.42 -43.76 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 12.3 p-80 -54.74 178.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -86.49 178.78 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.09 157.26 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.98 118.77 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.411 HD12 ' HD2' ' A' ' 27' ' ' PHE . 27.1 mt -108.15 122.96 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 ' CG ' ' A' ' 53' ' ' GLU . 39.2 mt -102.02 141.36 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.657 ' SD ' HD11 ' A' ' 24' ' ' LEU . 14.8 mtm -133.92 164.23 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 176.45 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.99 133.16 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 15' ' ' ASP . 3.3 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.857 0.36 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 117' ' ' LEU . 22.1 t -68.0 116.36 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.528 ' C ' HD22 ' A' ' 20' ' ' LEU . 18.2 m -120.18 169.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.571 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.4 tm? -75.16 122.85 24.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -86.84 -45.05 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.82 ' CG ' HD12 ' A' ' 39' ' ' ILE . 8.4 pt-20 -173.88 170.08 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -135.11 128.0 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB3' HG11 ' A' ' 58' ' ' VAL . 25.1 mt -113.82 149.77 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' GLY . 34.8 mt-10 -125.67 150.1 47.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.48 60.66 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.727 HG11 ' HB3' ' A' ' 55' ' ' LEU . 10.8 m -113.46 174.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -122.75 161.76 42.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.586 ' O ' HD22 ' A' ' 135' ' ' LEU . 52.9 Cg_endo -69.88 -10.69 29.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.641 2.227 . . . . 0.0 112.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -28.17 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -95.29 -24.03 16.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.475 HD13 HD12 ' A' ' 55' ' ' LEU . 14.5 tp -61.71 -57.38 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 2.1 pttt -46.54 -37.02 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.492 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -58.49 -34.94 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -89.51 17.36 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 75' ' ' ILE . 60.4 mt -120.93 150.59 53.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.13 17.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -101.58 21.12 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -129.25 -32.53 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 99' ' ' PRO . 16.1 mt-30 -125.54 151.42 70.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.566 0.698 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 97' ' ' SER . 54.0 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -133.26 156.67 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.834 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.4 m-30 -97.83 138.01 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.834 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.2 mp -149.37 127.98 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.2 t -109.75 99.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -98.67 158.44 15.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -131.58 95.18 3.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' HB2' HD21 ' A' ' 140' ' ' LEU . 62.6 t80 -69.78 169.76 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.3 tttt -116.68 97.05 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -113.49 91.96 22.0 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.709 0.766 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.2 Cg_endo -69.82 124.07 10.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.893 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.8 mm? -77.81 125.72 29.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.52 153.66 47.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.884 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -103.79 107.26 18.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.5 101.09 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -81.83 98.53 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 13.4 t -78.9 95.22 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -114.17 101.07 53.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.679 0.752 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.433 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 53.9 Cg_endo -69.78 122.02 8.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 t -49.36 -24.53 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.68 20.7 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 p -104.56 161.93 13.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -85.9 153.37 57.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.715 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -40.93 4.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.73 -27.24 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -93.87 -41.29 9.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.0 mm-40 -46.81 -36.11 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.1 mtm -72.57 -39.86 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 54.4 ttp -60.5 -41.19 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.632 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.5 m-85 -86.49 -34.61 19.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -57.41 -69.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.24 88.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 m -62.1 -40.64 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.5 ttpt -49.76 -60.77 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -33.82 -56.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -46.81 -53.99 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.53 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.8 -52.85 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 123' ' ' LEU . 83.1 t -44.22 -26.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -90.67 -38.86 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.534 ' CG2' HG13 ' A' ' 21' ' ' VAL . 15.7 m -65.17 -39.44 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.58 -3.71 59.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 62.23 47.06 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.884 HD13 ' HB2' ' A' ' 94' ' ' PHE . 6.9 mt -95.53 143.34 26.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -107.68 -32.66 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -104.56 126.74 51.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.435 HG21 HG21 ' A' ' 118' ' ' VAL . 22.0 t -130.65 117.7 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 14.3 m-85 -121.31 139.34 53.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -118.74 129.48 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.494 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 28.6 pt -106.7 131.83 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 10.4 ptt-85 -63.47 -27.64 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 8.1 m-20 -147.18 144.55 29.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.6 p -53.57 -30.72 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.48 -42.29 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.93 -39.21 62.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.7 tt -56.73 89.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.2 p -134.68 162.56 31.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -49.24 -55.63 11.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.49 -49.67 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 14.3 t90 -57.68 -37.96 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 79' ' ' TYR . 17.7 tp -59.76 -64.76 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -55.15 -24.2 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.25 -41.07 94.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.71 -38.25 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.55 -37.77 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.83 0.347 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.656 ' HB2' HD11 ' A' ' 48' ' ' LEU . 3.7 m-20 -100.27 162.68 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' VAL . 30.4 m -94.67 120.66 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.38 132.47 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.89 -45.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -54.78 -26.31 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.67 -54.29 4.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 17' ' ' ALA . 41.3 t -40.4 -49.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 6.5 pt-20 -43.94 -42.38 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 36.1 mttt -64.78 -53.4 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 121' ' ' ALA . 84.1 mt -53.21 -43.09 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -53.68 -44.7 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 31.4 mmtt -68.32 -40.59 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.857 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -42.23 -55.77 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -61.25 -47.37 86.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -95.31 35.39 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LYS . 5.3 ptm85 -73.67 122.13 21.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -89.2 37.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -117.58 150.5 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -86.21 -46.45 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -55.47 178.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.604 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -91.35 -179.49 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.76 157.91 27.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.51 115.34 5.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.535 HD12 ' HD2' ' A' ' 27' ' ' PHE . 17.6 mt -105.87 119.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 53' ' ' GLU . 15.6 mt -99.4 140.72 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.9 mtm -129.86 167.98 17.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.25 169.75 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.7 mt -114.64 131.16 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.821 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 15' ' ' ASP . 8.0 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HD21 ' A' ' 117' ' ' LEU . 22.9 t -70.84 106.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.28 158.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.2 tm? -64.95 129.21 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -91.49 -46.35 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.644 ' CG ' HD12 ' A' ' 39' ' ' ILE . 11.0 pt-20 -173.83 163.71 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -121.22 124.38 44.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.696 ' HB3' HG11 ' A' ' 58' ' ' VAL . 47.9 mt -109.7 131.36 55.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 58' ' ' VAL . 15.1 mp0 -117.31 155.11 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.82 59.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 55' ' ' LEU . 18.2 m -116.43 175.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -126.15 161.44 51.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.745 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.79 -10.35 28.32 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -33.07 12.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -91.66 -32.68 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 55' ' ' LEU . 23.0 tp -53.94 -53.05 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.699 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.6 pttt -51.05 -33.77 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 7.2 t0 -62.71 -32.83 74.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -86.52 18.85 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 64' ' ' LYS . 19.4 mt -124.3 152.07 67.25 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.583 0.706 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 137.54 35.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.363 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.69 12.68 30.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.87 -30.8 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -126.85 151.23 73.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.78 43.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -142.36 157.71 44.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.771 ' C ' HD12 ' A' ' 75' ' ' ILE . 20.2 m-85 -98.71 139.43 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.771 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.1 mp -148.64 135.64 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.9 t -119.62 99.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -103.69 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.1 t -131.48 94.66 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CD1' HD23 ' A' ' 140' ' ' LEU . 57.2 t80 -66.03 169.79 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 62.3 tttt -114.92 97.33 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -109.97 94.73 18.35 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.698 0.761 . . . . 0.0 110.885 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.3 Cg_endo -69.82 123.26 9.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.857 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.3 mm? -77.43 124.89 28.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.435 ' SG ' HD21 ' A' ' 144' ' ' LEU . 32.8 m -130.56 158.69 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 4.6 t80 -106.52 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -102.89 100.93 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -82.06 96.1 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.8 t -72.39 96.07 1.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.0 p -116.29 101.13 53.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.9 13.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 130' ' ' ARG . 11.9 t -48.27 -28.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.89 24.07 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.5 p -100.32 161.22 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.0 ptmt -96.02 156.33 37.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 107' ' ' GLN . 53.7 Cg_endo -69.74 -46.48 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.46 -29.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 25.6 mm-40 -92.47 -40.1 11.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.1 mm100 -50.01 -37.09 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -69.17 -39.96 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.544 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 44.2 ttp -61.43 -47.6 85.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.544 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 86.8 m-85 -79.97 -32.6 39.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -58.06 -66.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.61 93.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 m -61.59 -42.39 98.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 12.3 ttpt -47.22 -57.62 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -35.03 -66.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -40.33 -48.01 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.503 HD21 HG21 ' A' ' 49' ' ' VAL . 8.4 mt -53.75 -53.49 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.18 -17.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -95.22 -34.78 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.468 ' CG2' HG13 ' A' ' 21' ' ' VAL . 26.8 m -70.22 -42.57 72.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.579 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -83.96 -2.22 56.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 57.8 52.83 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' A' ' 92' ' ' LEU . 4.9 mt -103.98 132.28 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.1 p -95.65 -37.03 11.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -89.34 129.36 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.17 113.1 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.9 m-85 -121.74 140.69 52.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.66 134.09 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' ' 129' ' ' ILE . 32.5 pt -108.42 129.97 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.715 ' O ' HG23 ' A' ' 100' ' ' VAL . 24.6 ptt180 -69.35 -17.3 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -149.97 129.78 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.9 p -45.15 -30.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.581 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.3 t0 -46.01 -44.71 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.745 HD22 ' O ' ' A' ' 60' ' ' PRO . 2.2 tt -53.02 96.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.5 p -142.9 157.93 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -44.23 -52.76 7.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.96 -55.61 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.581 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 39.0 t90 -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.519 HD23 ' CD1' ' A' ' 79' ' ' TYR . 10.9 tp -53.46 -61.64 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -55.77 -26.65 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -64.86 -43.61 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.67 -38.0 73.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.435 HD21 ' SG ' ' A' ' 93' ' ' CYS . 55.4 mt -69.25 -34.94 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.639 ' N ' ' HG ' ' A' ' 113' ' ' SER . 90.3 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 4.7 m-20 -108.09 168.1 9.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG12 HD22 ' A' ' 117' ' ' LEU . 15.3 m -98.97 124.4 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -64.39 127.5 31.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.13 -38.97 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.49 -30.48 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp -85.63 -53.88 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.603 HG22 HG21 ' A' ' 120' ' ' THR . 25.0 t -41.29 -51.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.8 pt-20 -43.76 -44.39 6.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 43.9 mttt -62.92 -56.49 16.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 121' ' ' ALA . 79.3 mt -49.79 -44.44 49.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 33.2 mtm180 -53.91 -44.07 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ARG . 19.2 mmtm -65.76 -46.31 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.963 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.08 -51.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -63.46 -48.28 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.6 m-85 -97.89 36.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.4 ptm85 -75.91 127.78 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.42 35.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.8 mm-40 -121.63 146.47 46.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 ' OH ' ' A' ' 90' ' ' TYR . 96.5 m -89.48 -37.74 14.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 2.7 p-80 -58.24 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -96.63 179.62 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.573 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -164.65 170.06 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -157.67 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.06 122.62 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.724 HD12 ' HG3' ' A' ' 53' ' ' GLU . 14.6 mt -102.93 145.91 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.4 mtm -137.68 145.06 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -136.37 162.94 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.88 138.41 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.4 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 27.5 t -70.95 119.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.46 161.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.6 tm? -71.87 123.45 22.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -86.56 -45.94 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.724 ' HG3' HD12 ' A' ' 39' ' ' ILE . 13.5 pt-20 -173.74 163.11 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 6.4 mt-10 -123.54 126.91 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.707 ' HB3' HG11 ' A' ' 58' ' ' VAL . 15.2 mt -111.72 131.13 55.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -114.57 153.96 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.22 60.27 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.707 HG11 ' HB3' ' A' ' 55' ' ' LEU . 16.4 m -117.23 178.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.13 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -129.35 162.1 54.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.524 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.7 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -94.93 -31.31 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -93.35 -29.75 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.95 -54.1 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -51.4 -28.48 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.53 -29.14 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -90.88 10.66 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 75' ' ' ILE . 39.4 mt -115.59 150.96 45.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 133.21 24.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -103.16 18.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -128.65 -31.12 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -124.23 148.01 56.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 54.3 Cg_endo -69.74 129.5 17.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 13.9 tpp180 -133.09 157.26 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.816 ' C ' HD12 ' A' ' 75' ' ' ILE . 20.8 m-85 -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.816 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.3 mp -148.69 129.41 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.3 100.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -94.28 144.9 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.612 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 47.8 t -112.03 94.66 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 67.8 t80 -79.63 169.55 17.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.61 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 59.9 tttt -112.19 127.21 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -109.84 87.78 6.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.671 0.748 . . . . 0.0 110.923 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 109.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.963 HD21 ' CD1' ' A' ' 27' ' ' PHE . 7.6 mp -78.22 124.6 28.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.69 158.36 28.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.482 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 18.0 t80 -96.82 110.98 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.9 mt -101.01 101.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -82.77 93.29 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 91.4 p -69.9 94.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -114.15 101.85 54.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.79 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.401 HG11 ' HD2' ' A' ' 130' ' ' ARG . 33.5 m -39.39 -36.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.61 27.94 2.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' PRO . 14.8 p -94.8 161.99 13.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.6 ptmt -95.85 155.43 38.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.547 0.689 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.15 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.761 2.307 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -40.83 -30.8 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.455 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 29.4 mm-40 -92.45 -48.42 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.1 mm100 -42.73 -32.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.77 -53.33 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.0 ttp -55.17 -44.66 75.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 68.9 m-85 -75.42 -44.97 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -49.95 -69.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.17 -56.6 18.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.639 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 39.3 m -49.08 -41.66 36.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.396 . . . . 0.0 110.852 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 11.8 ttpt -48.95 -59.45 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.92 -65.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.554 ' HE2' HG22 ' A' ' 16' ' ' VAL . 12.3 tttt -44.46 -49.29 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.637 HD22 HG12 ' A' ' 16' ' ' VAL . 5.7 mt -50.29 -50.97 48.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 71.3 t -52.87 -20.09 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -94.04 -34.45 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.603 HG21 HG22 ' A' ' 21' ' ' VAL . 55.0 m -67.39 -44.32 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.803 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -84.68 -2.45 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 56.47 48.52 16.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.04 132.7 44.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.2 p -92.3 -46.2 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.6 mppt? -82.91 123.25 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -130.81 108.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -113.63 148.07 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -129.38 130.32 45.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 pt -104.63 134.38 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 9.7 ptt-85 -68.95 -29.1 67.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 4.0 m-20 -144.82 138.46 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.7 p -46.87 -35.74 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.23 -36.12 68.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.478 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.59 -41.94 74.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.8 tt -52.78 95.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 72.7 p -142.26 160.33 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.73 -56.28 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.11 -40.77 67.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.478 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 41.7 t90 -60.95 -42.73 98.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 79' ' ' TYR . 11.4 mt -53.94 -70.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -45.14 -29.6 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -63.57 -45.92 88.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.19 -41.48 73.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.1 -37.23 85.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.656 ' N ' ' HG ' ' A' ' 113' ' ' SER . 72.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.809 0.337 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.494 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.7 m-20 -113.16 172.46 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.561 HG22 ' HE3' ' A' ' 116' ' ' LYS . 35.5 m -106.43 130.64 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.649 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -72.69 136.91 45.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -50.67 -47.4 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.34 -21.74 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.792 HD11 ' HG2' ' A' ' 40' ' ' MET . 1.6 tt -91.35 -54.1 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 120' ' ' THR . 19.4 t -44.59 -54.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 10.9 pt-20 -44.38 -41.77 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.503 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 3.4 mtpp -63.13 -48.49 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 121' ' ' ALA . 83.7 mt -56.07 -44.31 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -56.18 -47.88 77.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.5 mmtt -62.82 -37.91 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.88 -49.99 37.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.609 HH21 HD23 ' A' ' 92' ' ' LEU . 1.1 mmp_? -66.51 -46.0 77.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -95.4 30.93 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.4 ptm180 -69.93 122.52 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -87.46 37.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.67 152.1 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 m -92.17 -40.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -63.0 175.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.61 178.97 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.86 159.97 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -154.33 121.69 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.604 HD12 ' HD2' ' A' ' 27' ' ' PHE . 33.5 mt -110.26 114.04 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.975 HD12 ' CG ' ' A' ' 53' ' ' GLU . 17.7 mt -92.28 144.26 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.792 ' HG2' HD11 ' A' ' 20' ' ' LEU . 12.4 mtm -137.02 147.17 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -142.28 169.81 16.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -112.59 136.21 49.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.847 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' ' 20' ' ' LEU . 18.6 t -71.34 116.22 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.592 ' CA ' HD12 ' A' ' 20' ' ' LEU . 33.6 m -124.84 154.4 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.515 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.0 tm? -58.58 130.95 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' N ' HD22 ' A' ' 51' ' ' LEU . 12.9 t0 -98.26 -43.43 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.975 ' CG ' HD12 ' A' ' 39' ' ' ILE . 14.2 pt-20 -174.31 154.53 2.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.81 120.38 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.2 mp -103.31 123.19 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -107.39 150.04 27.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.19 58.88 1.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.727 HG11 ' HB3' ' A' ' 55' ' ' LEU . 14.6 m -115.68 168.32 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -112.12 162.04 23.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.537 ' HB3' HD11 ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.8 -17.48 37.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.37 -18.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.52 -26.96 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 75' ' ' ILE . 12.6 tp -64.83 -55.45 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.729 ' HB3' HD23 ' A' ' 135' ' ' LEU . 4.5 pttp -44.94 -33.46 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HG3' HD21 ' A' ' 55' ' ' LEU . 4.0 mm-40 -82.1 14.16 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' CD2' HG12 ' A' ' 75' ' ' ILE . 42.7 mt -119.05 152.26 51.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.44 27.96 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -103.81 20.95 17.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -134.75 -34.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -118.3 147.44 41.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.75 131.95 22.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 12.8 tpp180 -135.43 157.63 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.66 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.4 m-85 -99.99 133.37 44.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 75' ' ' ILE . 1.1 mp -147.61 131.12 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -112.51 100.06 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -98.89 155.62 17.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.2 t -125.77 95.02 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 49.4 t80 -63.28 170.44 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 66.0 tttt -116.94 91.66 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.945 0.402 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -118.96 92.42 45.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.94 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.79 126.06 12.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.02 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.0 mm? -77.4 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.5 m -130.88 148.43 52.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.749 ' HB2' HD13 ' A' ' 123' ' ' LEU . 7.1 t80 -99.64 109.44 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.45 HD13 ' CD1' ' A' ' 135' ' ' LEU . 51.5 mt -95.63 101.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.59 89.39 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.3 t -71.58 102.32 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.405 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 57.8 p -126.61 101.28 27.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 54.3 Cg_endo -69.69 115.19 3.97 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 100' ' ' VAL . 6.3 t -42.96 -25.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 16.3 8.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' PRO . 12.4 p -97.25 161.57 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 156.03 52.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.558 0.694 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.9 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -43.54 -28.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.484 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 25.2 mm-40 -92.42 -44.73 8.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.0 mm100 -45.75 -33.08 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.3 mtm -72.88 -36.88 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.556 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 56.2 ttp -64.68 -44.04 91.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 86.4 m-85 -82.59 -41.04 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -47.27 -69.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.49 -55.68 28.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.656 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 25.7 m -47.13 -37.3 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' ASN . 14.6 ttpt -52.4 -56.94 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.4 t-20 -34.92 -63.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.561 ' HE3' HG22 ' A' ' 16' ' ' VAL . 1.3 tttp -45.38 -49.8 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 74' ' ' PHE . 5.6 mt -49.76 -55.58 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.93 -20.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.72 -33.56 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.675 ' CG2' HG13 ' A' ' 21' ' ' VAL . 74.6 m -71.63 -37.73 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.84 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -88.89 -5.59 57.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 58.23 53.95 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 94' ' ' PHE . 13.2 mt -105.82 138.34 42.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.8 p -99.82 -35.06 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.71 120.83 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.46 107.61 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 8.1 m-85 -112.56 150.87 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -129.16 140.95 51.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' A' ' 135' ' ' LEU . 21.9 pt -117.99 134.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.504 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 16.3 ptt180 -62.98 -32.65 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 2.8 m120 -147.41 144.96 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.5 p -49.15 -29.97 6.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.86 -41.71 87.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -37.8 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 64' ' ' LYS . 59.4 tp -57.07 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.5 p -141.45 165.16 28.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.17 -59.38 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.9 -41.8 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -59.94 -42.2 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 60' ' ' PRO . 11.4 mt -55.63 -61.82 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -52.54 -21.87 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.77 -43.5 62.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.514 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.14 -41.42 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.4 mt -71.02 -37.28 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -100.73 172.27 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.8 m -103.08 119.81 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.36 123.91 17.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.32 -36.27 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.34 74.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 2.4 tp -83.45 -53.38 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 17' ' ' ALA . 40.5 t -39.78 -49.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.0 pt-20 -43.73 -43.32 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 34.9 mttp -66.82 -51.19 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 121' ' ' ALA . 77.4 mt -53.42 -45.32 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -53.55 -47.57 69.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 30.3 mmtt -64.84 -42.35 94.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.89 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -39.78 -54.55 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -58.83 -48.69 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -98.01 36.55 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.5 ptm85 -73.17 123.94 24.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -86.01 38.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 10.6 mm-40 -119.22 149.78 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.2 m -91.17 -44.48 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.3 p-80 -54.45 176.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.56 174.51 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.05 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.811 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -153.2 115.64 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.518 HD12 ' HD2' ' A' ' 27' ' ' PHE . 22.7 mt -104.43 125.17 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.949 HD12 ' CG ' ' A' ' 53' ' ' GLU . 18.1 mt -103.61 147.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.453 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 13.5 mtm -137.6 153.65 49.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 164.75 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.7 mt -119.57 134.61 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.2 tp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.532 HG21 HD11 ' A' ' 117' ' ' LEU . 46.2 t -69.36 118.47 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.8 159.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.642 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.9 tm? -68.27 131.96 46.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.0 t0 -100.75 -44.76 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.949 ' CG ' HD12 ' A' ' 39' ' ' ILE . 9.1 pt-20 -171.87 166.67 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.7 mt-10 -127.92 132.0 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.811 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.3 mm? -105.73 134.75 48.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' GLY . 46.8 mt-10 -120.02 142.43 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.38 49.54 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.785 HG11 HD12 ' A' ' 55' ' ' LEU . 10.9 m -103.05 179.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -127.38 162.12 50.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.48 ' O ' HD22 ' A' ' 135' ' ' LEU . 54.1 Cg_endo -69.76 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.21 -27.27 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -97.19 -31.11 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 HG21 ' A' ' 75' ' ' ILE . 28.5 tp -58.37 -52.87 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.9 pttt -49.23 -23.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.17 -32.88 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -84.43 14.14 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.4 mt -122.84 151.54 61.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.24 53.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.57 9.94 23.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 25.5 mtm105 -121.17 -25.88 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -130.13 152.39 80.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 141.91 46.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -143.78 156.88 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.829 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.3 m-85 -98.26 138.83 34.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.829 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -149.35 131.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.5 99.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -101.58 158.07 16.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t -131.46 94.55 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.8 t80 -68.25 169.64 10.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 64.9 tttt -115.17 100.58 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 94.41 7.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.0 Cg_endo -69.75 123.35 10.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.1 mm? -77.36 122.76 25.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.453 ' SG ' HD21 ' A' ' 144' ' ' LEU . 17.3 m -127.82 153.85 46.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.895 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -102.34 109.32 20.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.09 100.93 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.13 92.68 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.0 t -78.43 102.94 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -122.93 101.22 39.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.5 4.12 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.443 HG23 ' ND2' ' A' ' 131' ' ' ASN . 14.8 t -43.92 -26.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 22.51 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.06 161.81 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 157.37 58.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -44.8 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -47.56 -25.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -93.98 -40.83 9.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.8 mm-40 -48.26 -37.3 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -73.34 -43.55 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.536 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 59.6 ttp -56.63 -33.89 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 64.0 m-85 -93.77 -37.08 11.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -53.92 -69.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.08 -50.75 57.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.407 ' O ' HD13 ' A' ' 117' ' ' LEU . 1.9 m -54.5 -41.19 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.3 ttpt -47.84 -61.13 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.24 -58.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -49.31 -53.68 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.538 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.63 -55.32 11.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 79.7 t -45.41 -27.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -89.09 -38.82 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 m -65.31 -45.21 85.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.553 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -80.97 -1.76 45.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 57.5 48.83 13.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 94' ' ' PHE . 7.5 mt -98.06 129.42 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.0 p -90.94 -46.93 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -89.36 128.74 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 79.7 t -129.46 112.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.5 m-85 -116.53 140.71 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -120.83 139.75 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.51 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 22.9 pt -117.36 136.06 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.529 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 20.3 ptt180 -64.9 -32.26 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 2.1 m120 -146.64 140.86 26.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -45.03 -33.43 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -54.42 -41.3 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -40.73 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -56.31 89.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 82.7 p -136.85 163.59 30.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -49.08 -58.1 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -54.07 -51.16 64.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.7 t90 -54.72 -41.48 70.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 79' ' ' TYR . 11.7 tp -54.21 -65.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -53.65 -27.46 27.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -62.6 -42.66 99.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.9 mmmt -69.66 -39.11 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.453 HD21 ' SG ' ' A' ' 93' ' ' CYS . 68.7 mt -71.9 -33.99 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.453 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.655 ' HB2' HD11 ' A' ' 48' ' ' LEU . 12.6 m-20 -95.64 163.93 12.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 16' ' ' VAL . 22.5 m -96.12 122.49 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' CB ' HG12 ' A' ' 50' ' ' VAL . . . -58.93 133.41 56.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -49.14 -45.11 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -23.87 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.651 HD21 ' HG2' ' A' ' 40' ' ' MET . 1.3 tt -86.15 -55.14 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' CG2' ' A' ' 120' ' ' THR . 12.2 t -45.4 -59.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 7.1 pt-20 -37.82 -39.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 20.3 mttp -68.75 -42.65 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 121' ' ' ALA . 53.1 mt -62.62 -53.14 59.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -47.9 -50.91 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' ARG . 14.9 mmtt -61.68 -37.05 82.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -49.29 -55.16 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -63.33 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -95.37 30.2 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.0 ptm85 -66.77 125.22 25.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -93.5 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' A' ' 30' ' ' ARG . 48.3 mt-10 -117.21 177.96 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -115.89 -35.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 32' ' ' GLU . 7.7 p-80 -70.62 176.51 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -84.87 177.23 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.68 161.68 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -150.89 120.96 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.39 114.38 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.036 HD12 ' CG ' ' A' ' 53' ' ' GLU . 47.1 mt -94.28 146.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.651 ' HG2' HD21 ' A' ' 20' ' ' LEU . 15.4 mtm -140.79 159.13 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.782 ' HZ3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -157.78 170.48 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.36 135.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 15' ' ' ASP . 9.1 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' LEU . 19.7 t -67.84 114.93 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' HZ3' ' A' ' 41' ' ' LYS . 12.1 m -122.57 160.38 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.744 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.9 tm? -64.86 127.33 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.539 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 14.7 t0 -91.78 -47.25 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 1.036 ' CG ' HD12 ' A' ' 39' ' ' ILE . 10.1 pt-20 -171.51 144.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -111.67 123.7 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HB3' HG11 ' A' ' 58' ' ' VAL . 3.5 mt -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -122.7 151.04 41.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.68 48.67 28.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 55' ' ' LEU . 5.8 m -109.57 176.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -125.03 161.43 49.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.83 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -15.42 37.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -94.75 -25.89 16.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.19 -24.56 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD21 HG21 ' A' ' 75' ' ' ILE . 15.8 tp -66.54 -51.75 53.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' CB ' HD23 ' A' ' 135' ' ' LEU . 5.9 pttp -48.51 -27.98 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.5 -35.93 82.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.26 14.72 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.456 HD13 HG12 ' A' ' 75' ' ' ILE . 16.2 mt -118.29 149.77 46.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 53.5 Cg_endo -69.72 127.91 15.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -94.92 7.8 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -123.17 -34.04 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -115.87 143.14 30.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.76 126.23 13.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 12.9 tpp180 -129.14 158.01 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.744 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.2 m-85 -98.18 139.91 33.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.762 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -148.57 146.18 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.495 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 54.4 t -130.85 99.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -101.46 154.48 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.5 t -126.34 95.04 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' HB2' HD21 ' A' ' 140' ' ' LEU . 64.0 t80 -67.43 169.8 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.5 tttt -115.12 99.4 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -105.1 92.92 5.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.1 Cg_endo -69.76 121.16 7.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.314 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.95 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.78 123.85 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 144' ' ' LEU . 3.5 m -126.11 159.22 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.904 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.4 t80 -106.49 117.34 33.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.1 mt -107.37 101.8 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.28 91.6 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 t -69.98 101.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 2.6 t -127.96 102.27 22.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.5 Cg_endo -69.76 128.13 15.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' ' 131' ' ' ASN . 35.8 m -48.45 -32.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.25 2.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.07 158.13 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -86.68 155.39 56.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 108' ' ' MET . 54.0 Cg_endo -69.75 -50.47 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -41.26 -30.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.6 mm-40 -88.36 -51.05 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -43.33 -33.42 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 0.7 OUTLIER -83.87 -27.67 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.504 ' HE2' ' CE2' ' A' ' 110' ' ' TYR . 37.4 ttp -68.63 -42.3 78.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.504 ' CE2' ' HE2' ' A' ' 109' ' ' MET . 57.2 m-85 -83.38 -48.11 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -38.49 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.0 -46.23 9.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -68.01 -25.7 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.7 ttpp -60.08 -58.55 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -35.34 -63.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -50.1 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.16 -51.21 45.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.33 -19.52 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.39 -34.12 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.5 ' CG2' HG13 ' A' ' 21' ' ' VAL . 8.1 m -70.58 -53.15 17.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.84 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -73.44 -6.45 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 58.16 53.49 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.904 HD13 ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -95.48 144.65 25.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.19 -34.18 7.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -103.58 118.27 36.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.38 110.44 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 8.6 m-85 -112.6 154.5 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -130.9 142.86 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 135' ' ' LEU . 21.0 pt -117.49 138.2 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.442 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 11.2 ptt180 -70.06 -26.12 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 100' ' ' VAL . 1.6 m-80 -153.49 134.34 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 56.2 p -40.53 -29.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.74 -44.89 90.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -52.16 -36.95 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.557 ' HB2' HD13 ' A' ' 129' ' ' ILE . 53.9 tp -61.33 87.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.6 p -130.84 178.18 6.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.4 -62.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -51.5 -56.68 12.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 41.9 t90 -47.69 -33.63 7.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 79' ' ' TYR . 13.8 tp -64.34 -61.8 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -58.38 -17.8 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.92 -41.13 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.52 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.22 -38.41 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 93' ' ' CYS . 72.5 mt -74.07 -31.44 62.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' LEU . 5.3 m-20 -87.88 160.0 18.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 120' ' ' THR . 32.7 m -92.97 119.38 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -61.5 141.65 57.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.3 -46.2 72.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.92 -31.22 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 10.5 tp -85.01 -52.98 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 17' ' ' ALA . 29.7 t -44.77 -52.06 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.9 pt-20 -42.61 -44.28 4.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 33.1 mttt -65.01 -53.89 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.2 mt -51.27 -45.47 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -52.7 -46.47 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' ARG . 21.3 mmtm -64.32 -42.06 96.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.939 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.4 -49.52 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.47 -50.26 68.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.93 36.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' NH2' ' CD ' ' A' ' 32' ' ' GLU . 4.3 ptm85 -74.55 125.42 28.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -89.66 39.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.49 ' CD ' ' NH2' ' A' ' 30' ' ' ARG . 10.6 mt-10 -118.47 146.3 44.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.9 m -87.02 -39.7 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -60.48 179.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.549 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -89.06 175.12 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.45 160.74 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -156.95 116.82 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' HD2' ' A' ' 27' ' ' PHE . 34.1 mt -105.32 119.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 53' ' ' GLU . 15.6 mt -97.51 140.86 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 15.0 mtm -136.31 133.79 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -124.5 173.66 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 54.9 mt -118.03 136.98 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.9 tp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.896 0.379 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.95 121.1 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.402 HG23 ' HE3' ' A' ' 41' ' ' LYS . 35.5 m -124.66 158.04 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.725 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.4 tm? -71.8 129.78 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.538 ' N ' HD13 ' A' ' 51' ' ' LEU . 11.8 t0 -93.97 -47.1 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 39' ' ' ILE . 12.3 pt-20 -168.35 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.454 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.3 mt-10 -124.5 116.39 22.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.683 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.4 mp -96.29 124.25 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' GLY . 41.3 mt-10 -110.7 151.79 27.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.77 58.33 1.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.683 HG11 ' HB3' ' A' ' 55' ' ' LEU . 14.2 m -112.6 179.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 p -124.37 157.9 63.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.687 0.756 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.79 -13.19 34.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.97 -28.76 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.37 -33.06 15.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.469 HD21 HG21 ' A' ' 75' ' ' ILE . 19.6 tp -57.07 -50.57 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -49.9 -26.96 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.08 -31.12 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -86.96 12.78 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 75' ' ' ILE . 33.0 mt -117.38 150.3 46.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.714 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -106.06 11.75 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -123.27 -24.24 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -133.22 149.37 72.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.659 0.743 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.7 137.12 34.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 tpp180 -137.63 156.66 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.723 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.8 m-85 -98.12 135.3 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.723 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.3 mp -148.46 138.91 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 61.1 t -122.35 99.67 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -103.2 153.84 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' HD22 ' A' ' 92' ' ' LEU . 45.2 t -125.75 94.93 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 62.1 t80 -64.54 169.81 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.8 tttt -115.18 104.2 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.928 0.394 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -110.84 89.47 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.958 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.0 Cg_endo -69.75 123.17 9.84 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.939 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.5 mm? -77.32 125.38 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.8 m -130.97 148.75 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.819 ' HB2' HD13 ' A' ' 123' ' ' LEU . 16.5 t80 -94.75 113.87 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 135' ' ' LEU . 66.2 mt -98.88 101.16 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.12 91.32 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.2 t -72.34 106.38 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -127.33 101.23 25.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.18 22.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 130' ' ' ARG . 35.3 m -51.84 -33.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.62 28.08 2.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 p -99.9 156.86 16.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 157.42 40.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.539 0.685 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 108' ' ' MET . 53.5 Cg_endo -69.78 -49.98 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.65 -28.32 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -93.78 -45.92 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.0 mm100 -45.94 -42.49 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 1.3 mtm -63.51 -38.79 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 ttp -62.46 -57.21 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 72' ' ' PRO . 80.9 m-85 -68.0 -34.86 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -56.04 -67.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.02 76.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.1 m -56.15 -43.42 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.4 ttpt -45.84 -56.83 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.5 t-20 -35.17 -61.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -47.99 -49.15 31.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.46 HD11 ' CE2' ' A' ' 74' ' ' PHE . 7.1 mt -51.42 -56.68 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.84 -21.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -91.62 -35.51 14.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.614 HG21 HG21 ' A' ' 16' ' ' VAL . 91.8 m -67.33 -46.58 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.94 -2.26 46.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.12 50.99 14.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 94' ' ' PHE . 8.2 mt -97.91 127.01 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.0 p -87.68 -45.66 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -86.13 120.47 27.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -123.12 113.02 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 4.3 m-85 -115.21 139.97 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -121.26 140.57 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 135' ' ' LEU . 26.9 pt -120.63 128.5 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.673 ' O ' HG13 ' A' ' 100' ' ' VAL . 1.4 ppt_? -80.09 9.85 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -171.75 121.69 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -43.76 -36.46 2.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.57 -40.88 69.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.456 ' OD2' ' CD1' ' A' ' 139' ' ' TRP . 2.2 t70 -53.75 -35.88 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 95' ' ' ILE . 66.9 tp -60.76 91.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 64.6 p -140.55 167.56 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.55 -59.65 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.44 -43.13 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.456 ' CD1' ' OD2' ' A' ' 134' ' ' ASP . 65.5 t90 -58.47 -47.25 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 60' ' ' PRO . 11.6 mt -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -54.66 -29.13 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.63 -47.15 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.27 -44.35 88.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.08 -36.85 80.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.524 ' N ' ' HG ' ' A' ' 113' ' ' SER . 56.7 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.18 162.26 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' HB ' HG22 ' A' ' 21' ' ' VAL . 23.1 m -99.48 122.96 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -69.02 122.3 18.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.64 -47.7 10.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -46.64 6.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD21 ' HG2' ' A' ' 40' ' ' MET . 1.9 tp -79.57 -51.62 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.594 HG13 ' CG2' ' A' ' 120' ' ' THR . 40.1 t -41.45 -48.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -46.73 -41.34 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 38.0 mttt -60.64 -52.59 64.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' ' 121' ' ' ALA . 65.7 mt -54.79 -46.92 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -55.11 -35.39 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ARG . 52.9 mmtt -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.956 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -39.2 -55.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -59.82 -46.83 88.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -97.19 32.48 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.2 ptm85 -67.94 125.69 27.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -83.59 40.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -125.45 179.04 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -122.68 -24.94 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -75.04 173.81 10.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -84.07 178.29 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . . . -165.84 168.92 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.34 127.32 9.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.6 mt -115.06 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.685 HD12 ' CG ' ' A' ' 53' ' ' GLU . 23.1 mt -98.91 142.83 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.456 ' HG2' HD21 ' A' ' 20' ' ' LEU . 15.3 mtm -132.92 157.09 45.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.48 156.09 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.8 mt -100.32 131.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.81 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.853 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.3 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.849 0.357 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 117' ' ' LEU . 23.4 t -74.22 112.44 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.4 ' C ' HD22 ' A' ' 20' ' ' LEU . 18.8 m -119.47 167.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.7 tm? -79.58 127.47 32.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.8 t0 -93.06 -44.95 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.685 ' CG ' HD12 ' A' ' 39' ' ' ILE . 7.7 pt-20 -168.27 173.0 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.438 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.8 mt-10 -140.12 117.06 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.742 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.9 mp -99.36 135.21 41.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 58' ' ' VAL . 35.6 mt-10 -115.27 152.66 32.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.05 59.34 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.742 HG11 ' HB3' ' A' ' 55' ' ' LEU . 23.2 m -116.26 176.97 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -123.1 159.01 56.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -13.91 35.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.06 -26.48 16.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.97 -31.08 12.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.19 -47.7 84.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -51.66 -25.82 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.81 -36.41 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 55' ' ' LEU . 10.3 mm-40 -81.58 15.08 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.6 mt -119.51 150.38 49.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.54 35.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -106.15 15.4 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.02 -30.74 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -121.54 146.0 44.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -133.78 157.46 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.798 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.3 m-85 -98.24 136.98 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.5 mp -148.8 135.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.11 100.08 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -97.67 138.4 35.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 13.7 t -103.88 94.96 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' HB2' HD21 ' A' ' 140' ' ' LEU . 89.7 t80 -75.35 169.26 18.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 50.9 tttt -112.76 106.0 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.448 ' HD2' HD13 ' A' ' 144' ' ' LEU . 2.5 t80 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 1.4 m-85 -106.14 88.74 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 113.25 3.3 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.379 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.956 HD21 ' CG ' ' A' ' 27' ' ' PHE . 6.8 mp -79.86 125.21 29.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.1 m -124.25 152.59 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.889 ' HB2' HD13 ' A' ' 123' ' ' LEU . 13.3 t80 -93.66 115.05 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.01 101.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.75 93.73 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.43 ' HA ' ' CG1' ' A' ' 129' ' ' ILE . 4.4 t -74.35 103.36 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 82.8 p -124.94 101.26 32.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.72 125.61 12.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 130' ' ' ARG . 4.1 t -47.82 -26.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.31 20.92 5.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.4 p -100.39 160.42 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.468 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -91.63 157.04 42.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -49.04 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.6 tp10 -42.64 -25.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -92.94 -49.05 6.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 2.2 mm100 -46.17 -28.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.2 mtm -74.71 -47.36 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ttp -60.14 -36.7 78.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -85.39 -45.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -46.3 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.31 -56.95 14.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 3.9 m -48.14 -38.46 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.881 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.9 ttpt -54.26 -55.57 26.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.02 -63.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.406 ' HE3' HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -45.99 -51.97 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 49' ' ' VAL . 5.6 mt -47.72 -54.54 11.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.4 t -49.68 -21.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -95.75 -34.6 11.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 21' ' ' VAL . 88.1 m -69.75 -41.83 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.832 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -84.12 -4.24 58.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 57.86 46.13 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.889 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.3 mt -95.1 126.24 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -88.29 -39.39 14.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.1 mppt? -94.74 123.14 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.71 114.51 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -117.15 138.45 51.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -118.24 129.4 55.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 135' ' ' LEU . 13.8 pt -105.91 134.92 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.633 ' O ' HG23 ' A' ' 100' ' ' VAL . 27.5 ptt180 -80.56 4.86 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -172.54 129.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 29.5 p -47.57 -30.67 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.89 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.51 -37.43 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 129' ' ' ILE . 28.8 tp -59.63 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.7 p -137.4 171.3 14.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.44 -60.64 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.95 -48.49 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.463 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 60.7 t90 -58.08 -45.08 87.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 79' ' ' TYR . 11.6 tp -51.25 -67.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -49.42 -32.23 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.46 -42.58 92.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -71.08 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.448 HD13 ' HD2' ' A' ' 81' ' ' TYR . 87.0 mt -73.28 -36.33 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.633 ' HB2' HD11 ' A' ' 48' ' ' LEU . 8.2 m-20 -84.16 162.22 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.809 HG21 HG21 ' A' ' 120' ' ' THR . 7.6 m -95.3 116.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -53.26 139.01 30.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -55.25 -39.41 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.59 -29.02 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 11.0 tp -86.44 -52.16 5.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 17' ' ' ALA . 17.6 t -44.41 -54.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.6 -42.1 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.4 mttp -68.47 -43.71 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.48 -47.0 88.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -54.1 -49.25 69.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.2 mmtt -63.06 -42.36 99.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.033 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.96 -54.36 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 122' ' ' GLU . 36.4 mmm-85 -63.21 -49.1 75.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.92 32.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 8.3 ptm180 -63.89 128.36 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 19.84 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.18 -179.39 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -124.1 -28.73 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -69.74 173.84 5.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -77.88 174.79 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.541 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -161.17 159.82 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -157.19 113.89 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 mt -102.94 121.04 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.953 HD12 ' HG3' ' A' ' 53' ' ' GLU . 55.4 mt -100.29 143.46 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.463 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 12.0 mtm -137.59 152.22 49.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 163.42 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.625 HD12 ' CD1' ' A' ' 110' ' ' TYR . 6.2 mt -117.45 140.72 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.822 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 15' ' ' ASP . 1.6 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 117' ' ' LEU . 10.9 t -67.61 109.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 m -112.28 161.32 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.3 tm? -67.55 127.94 34.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.537 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.2 t0 -93.54 -45.53 7.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.953 ' HG3' HD12 ' A' ' 39' ' ' ILE . 3.2 pt-20 -171.35 152.44 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -115.78 111.18 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.729 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.0 mp -96.63 129.69 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 58' ' ' VAL . 24.0 mt-10 -113.86 151.66 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.94 56.34 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.729 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.4 m -112.69 173.13 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -117.39 159.89 39.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.457 ' HB3' HD11 ' A' ' 140' ' ' LEU . 53.7 Cg_endo -69.75 -13.99 35.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.741 2.294 . . . . 0.0 112.324 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -29.15 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.48 -29.68 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 75' ' ' ILE . 12.3 tp -62.58 -50.46 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.04 -38.52 88.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.07 14.23 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.478 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.4 mt -116.26 144.69 33.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.431 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.68 129.99 18.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -98.36 1.99 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -113.56 -25.57 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -129.23 148.63 69.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.554 0.692 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.76 134.38 27.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.431 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 16.3 tpp180 -139.12 156.63 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.762 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.8 m-85 -98.16 139.35 34.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -148.36 132.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 60.2 t -116.44 99.9 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -104.69 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.459 ' OG ' HD22 ' A' ' 92' ' ' LEU . 27.3 t -126.13 95.07 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 55.7 t80 -63.58 167.34 5.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.8 tttt -112.74 94.29 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.406 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 9.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -118.96 92.05 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.9 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.77 123.49 10.15 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.628 2.218 . . . . 0.0 112.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.033 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.57 124.04 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' HD21 ' A' ' 144' ' ' LEU . 14.2 m -127.43 159.57 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.795 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -107.03 111.17 23.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.7 mt -97.8 102.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -84.37 90.99 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.1 p -70.17 107.85 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' ARG . 3.3 t -127.69 101.58 23.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 54.0 Cg_endo -69.75 119.26 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.5 m -42.69 -32.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.72 2.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.66 160.61 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.4 ptmt -89.95 154.7 47.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -42.77 -30.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.7 mm100 -90.06 -49.62 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -40.35 -35.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.5 mtm -78.66 -35.09 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.685 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 50.6 ttp -62.21 -35.7 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.685 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 76.1 m-85 -94.86 -40.02 9.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.8 -7.6 12.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -110.83 -20.73 12.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.871 -179.766 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.549 ' HA ' HD22 ' A' ' 117' ' ' LEU . 11.5 ttpt -63.59 -54.72 31.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.2 t-20 -31.91 -56.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' ' 16' ' ' VAL . 4.9 tttt -46.91 -54.57 9.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -46.13 -56.33 5.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -45.15 -27.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -90.55 -36.22 14.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.809 HG21 HG21 ' A' ' 16' ' ' VAL . 79.0 m -63.0 -47.43 83.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.11 -2.05 50.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.411 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 15.2 mt-10 59.1 47.47 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.2 mt -95.96 137.51 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.5 p -101.65 -25.33 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.1 mppt? -105.23 120.76 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.64 113.4 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 6.8 m-85 -118.62 141.86 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -122.62 127.38 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.527 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 10.8 pt -103.69 129.42 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.431 ' HD2' ' CG ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -59.52 -30.88 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.431 ' CG ' ' HD2' ' A' ' 130' ' ' ARG . 6.2 m-20 -145.9 137.57 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.4 p -48.31 -31.27 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.26 -40.98 75.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.33 -37.55 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 18.8 tp -55.57 96.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.83 175.24 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.57 -61.54 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -50.83 -38.82 51.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.527 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 75.0 t90 -62.87 -44.92 94.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 60' ' ' PRO . 12.1 mt -53.01 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -55.21 -21.36 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.82 -42.3 63.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.17 -37.57 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.414 HD21 ' SG ' ' A' ' 93' ' ' CYS . 42.9 mt -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -108.66 148.27 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.523 HG12 HD22 ' A' ' 117' ' ' LEU . 29.4 m -80.75 126.12 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.59 136.0 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.34 -47.58 65.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -30.53 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.882 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.4 OUTLIER -81.19 -54.72 5.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 17' ' ' ALA . 24.5 t -41.74 -50.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.6 pt-20 -45.35 -43.53 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 42.0 mttt -64.45 -49.56 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 121' ' ' ALA . 82.1 mt -56.96 -44.71 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -52.99 -48.13 67.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.8 mmtt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.878 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.78 -52.66 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.66 -47.35 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -94.08 33.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.9 ptm180 -69.09 121.72 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.79 42.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.5 mm-40 -124.91 177.22 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.0 m -113.56 -42.74 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 8.0 p-80 -55.41 179.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.494 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.5 OUTLIER -89.33 -178.91 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.89 159.71 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -155.05 123.25 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.521 HD12 ' HD2' ' A' ' 27' ' ' PHE . 30.7 mt -113.43 125.11 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.844 HD12 ' HG3' ' A' ' 53' ' ' GLU . 7.8 mt -108.53 141.88 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.882 ' HG2' HD11 ' A' ' 20' ' ' LEU . 11.2 mtm -129.49 165.56 21.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.22 160.26 32.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.94 149.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.2 tp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.555 HG21 HD21 ' A' ' 117' ' ' LEU . 61.3 t -80.92 111.92 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.81 152.25 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.5 tm? -61.61 126.56 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.5 t0 -87.26 -48.79 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.844 ' HG3' HD12 ' A' ' 39' ' ' ILE . 6.1 pt-20 -171.38 159.52 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.444 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -120.51 119.66 33.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB3' HG11 ' A' ' 58' ' ' VAL . 13.5 mt -107.15 138.18 43.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 57' ' ' GLY . 5.3 mp0 -120.46 155.55 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.87 60.12 0.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 55' ' ' LEU . 15.0 m -114.77 -179.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -126.85 159.76 62.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.4 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -23.1 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.13 -31.89 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.704 HD21 HG21 ' A' ' 75' ' ' ILE . 16.6 tp -57.95 -55.63 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.733 ' HB3' HD23 ' A' ' 135' ' ' LEU . 5.2 pttp -46.48 -28.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.58 -36.04 81.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' HD23 ' A' ' 67' ' ' LEU . 7.0 mm-40 -85.25 18.86 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 66' ' ' GLU . 17.2 mt -124.35 150.82 65.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 144.53 54.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -112.29 9.51 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -119.39 -28.64 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -126.49 150.63 71.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.8 Cg_endo -69.82 135.66 30.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -137.1 156.64 48.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.778 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.2 m-85 -98.7 137.95 36.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.778 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.9 mp -148.64 140.88 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.0 t -126.95 99.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -103.2 157.84 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.4 t -129.27 94.93 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.561 ' HB2' HD21 ' A' ' 140' ' ' LEU . 46.8 t80 -64.89 170.63 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.5 tttt -116.79 95.63 5.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.526 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -111.45 92.51 16.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.925 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.1 Cg_endo -69.71 120.86 7.59 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.878 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.58 124.3 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.4 m -129.92 152.55 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.882 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.3 t80 -98.98 111.21 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.4 HD13 ' CD1' ' A' ' 135' ' ' LEU . 70.4 mt -97.83 100.99 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.8 96.07 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 t -74.84 103.03 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.1 p -122.66 101.49 39.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.684 0.754 . . . . 0.0 110.806 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.8 Cg_endo -69.81 129.23 17.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.08 -32.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 24.92 2.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.3 p -96.45 156.51 16.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -93.64 158.09 37.25 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.244 . . . . 0.0 112.372 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -42.58 -29.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 9.7 mm100 -91.5 -47.81 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 3.9 mm100 -44.33 -35.4 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.1 mtm -71.36 -41.61 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.6 ttp -61.74 -46.55 89.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 85.7 m-85 -77.68 -43.8 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -47.86 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.75 -57.53 12.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.2 m -48.04 -40.34 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 14.5 ttpt -51.17 -57.57 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.68 -61.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -48.85 -48.48 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 49' ' ' VAL . 7.0 mt -51.96 -52.29 51.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.9 t -51.07 -21.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -91.36 -36.19 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.527 ' CG2' HG13 ' A' ' 21' ' ' VAL . 26.3 m -68.69 -45.68 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.496 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -80.3 -3.4 49.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 56.42 53.62 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.882 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.6 mt -101.71 126.71 48.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -88.13 -44.54 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 127.36 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.61 118.13 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -122.25 143.95 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.65 130.02 52.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.0 pt -106.9 131.85 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 26.0 ptt-85 -67.46 -23.75 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -144.89 130.26 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 35.7 p -45.25 -33.9 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -58.47 -41.16 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -47.0 -44.7 20.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 64' ' ' LYS . 28.5 tp -53.59 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.5 p -142.13 154.1 44.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -40.48 -47.98 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -62.14 -57.92 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.459 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 22.5 t90 -49.11 -42.78 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 79' ' ' TYR . 14.2 tp -54.64 -62.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -54.99 -26.43 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -63.9 -47.4 80.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.76 -43.52 98.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.08 -36.49 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.7 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.831 0.348 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.454 ' HB2' HD21 ' A' ' 48' ' ' LEU . 5.3 m-20 -114.55 172.21 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG21 HG21 ' A' ' 120' ' ' THR . 27.6 m -101.59 129.04 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -67.36 137.63 56.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.39 -43.08 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.19 -23.8 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.663 HD11 ' HG2' ' A' ' 40' ' ' MET . 1.5 tt -87.26 -55.28 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.416 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.6 t -44.0 -52.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.9 pt-20 -40.5 -46.29 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 52.0 mttt -61.5 -56.21 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 121' ' ' ALA . 66.3 mt -49.69 -42.87 46.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -56.01 -45.83 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.1 mmtt -67.38 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.989 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -46.13 -53.78 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -63.38 -46.96 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.72 28.51 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.0 ptm180 -64.66 125.79 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -85.38 -5.01 59.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.41 167.95 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 m -110.02 -38.88 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -64.82 173.43 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.462 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.8 OUTLIER -78.29 179.44 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.33 160.95 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -153.04 114.28 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' OE2' ' A' ' 54' ' ' GLU . 5.4 mt -103.81 120.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.846 HD12 ' CG ' ' A' ' 53' ' ' GLU . 20.2 mt -99.83 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.663 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.6 mtm -137.02 144.26 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.809 ' HE3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -130.45 170.43 14.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.58 HG12 HG22 ' A' ' 49' ' ' VAL . 42.8 mt -127.19 132.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.58 HG22 HG12 ' A' ' 42' ' ' ILE . 17.7 t -68.36 122.11 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.809 HG23 ' HE3' ' A' ' 41' ' ' LYS . 27.2 m -129.47 154.29 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.685 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.6 tm? -57.82 136.08 56.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.578 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.2 t0 -103.97 -47.1 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.846 ' CG ' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 -171.97 152.88 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' OE2' HD11 ' A' ' 38' ' ' ILE . 8.1 mt-10 -117.66 120.37 37.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.825 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.7 mt -103.26 129.11 50.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -114.32 147.93 38.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.66 54.03 8.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.825 HG11 ' HB3' ' A' ' 55' ' ' LEU . 13.1 m -111.81 174.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -119.44 158.34 49.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.899 ' HB3' HD23 ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.72 -13.54 34.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.84 -25.67 17.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.96 -29.08 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.474 HD11 HG21 ' A' ' 75' ' ' ILE . 47.1 tp -54.13 -54.5 38.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.25 -28.74 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.41 -31.15 71.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.21 -1.16 57.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 75' ' ' ILE . 32.1 mt -103.0 149.64 37.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 132.87 24.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -101.66 19.51 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -129.39 -30.83 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -127.25 149.9 70.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.2 Cg_endo -69.77 134.54 28.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 13.2 tpp180 -137.82 157.11 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.787 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.8 m-85 -98.72 138.67 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.807 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -149.03 134.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.52 100.51 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -101.9 158.99 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.3 t -134.1 95.07 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 86.8 t80 -72.44 165.31 24.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 58.4 tttt -109.27 106.09 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.601 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 92.33 5.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.721 0.772 . . . . 0.0 110.928 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 121.3 8.01 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.29 . . . . 0.0 112.357 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.989 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.2 mm? -77.7 126.18 30.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.4 m -128.84 153.67 47.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.737 ' HB2' HD13 ' A' ' 123' ' ' LEU . 8.7 t80 -104.18 107.94 19.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.83 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -83.74 91.44 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.51 108.23 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.4 p -127.48 100.97 25.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 102' ' ' CYS . 53.9 Cg_endo -69.71 132.46 23.46 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 130' ' ' ARG . 5.0 t -50.96 -30.23 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.59 22.72 4.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 99' ' ' PRO . 31.2 p -92.11 159.09 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.5 ptmt -95.73 154.92 39.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.59 0.709 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.19 2.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.303 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -48.16 -28.27 2.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 24.4 mm-40 -93.83 -43.96 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 7.0 mm-40 -44.37 -34.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.34 -34.2 61.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.627 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 58.4 ttp -68.5 -37.2 79.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.627 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 83.2 m-85 -88.11 -31.93 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -64.07 -67.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.94 -30.08 59.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 m -77.06 -40.85 44.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.955 0.407 . . . . 0.0 110.849 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.8 ttpt -49.52 -56.71 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.88 -65.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -44.33 -48.66 9.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.83 -55.0 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 74.6 t -49.83 -19.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -95.9 -34.63 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.461 HG21 HG21 ' A' ' 16' ' ' VAL . 97.6 m -66.46 -42.9 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -87.25 -4.61 59.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 57.86 50.67 10.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.0 mt -95.99 137.28 35.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.1 p -93.83 -50.44 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.0 mppt? -84.4 130.25 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.12 108.47 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 143' ' ' LYS . 2.6 m-85 -110.55 145.08 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -127.87 131.6 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 8.3 pt -111.32 135.38 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 100' ' ' VAL . 7.1 ppt_? -82.61 4.47 24.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.589 ' ND2' ' CZ ' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -165.6 119.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.4 p -41.08 -33.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.51 -44.74 81.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.562 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.5 t70 -47.53 -41.48 21.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -57.36 97.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.0 p -142.07 170.57 15.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.88 -62.78 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -49.82 -52.0 35.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.562 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 59.0 t90 -54.57 -38.49 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.899 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -51.5 -60.0 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -61.6 -28.48 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.67 -49.59 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.579 ' HB2' ' CE2' ' A' ' 127' ' ' PHE . 6.6 mmmt -64.06 -40.37 96.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.0 mt -66.78 -33.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB2' HD11 ' A' ' 48' ' ' LEU . 4.8 m-20 -107.86 170.0 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.498 ' CG1' HD12 ' A' ' 117' ' ' LEU . 28.1 m -104.87 127.47 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.11 132.82 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.62 -47.36 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -53.43 -31.92 47.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.1 OUTLIER -78.86 -56.69 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.688 HG13 ' CG2' ' A' ' 120' ' ' THR . 4.0 t -45.13 -57.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 -39.14 -36.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -72.31 -39.58 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 121' ' ' ALA . 69.9 mt -67.72 -46.11 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -52.42 -44.3 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.8 mmtp -62.18 -42.4 99.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.985 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -44.68 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.66 -44.36 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -104.25 38.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' LYS . 10.0 ptm180 -67.09 145.25 55.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -97.75 23.57 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 7.0 mm-40 -111.57 175.66 5.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -125.26 -12.19 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 2.3 p-80 -84.33 168.88 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -69.04 175.22 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -166.58 167.38 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -160.32 123.53 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.735 HG23 ' CD2' ' A' ' 51' ' ' LEU . 11.4 mt -110.11 121.21 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' HD22 ' A' ' 51' ' ' LEU . 43.7 mt -103.93 128.5 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.812 ' HG2' HD11 ' A' ' 20' ' ' LEU . 12.4 mtm -119.87 144.04 47.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.737 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.24 163.78 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.484 HD12 ' HE3' ' A' ' 109' ' ' MET . 3.4 mt -114.28 146.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 15' ' ' ASP . 7.3 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 117' ' ' LEU . 21.1 t -69.76 127.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.737 HG23 ' HD3' ' A' ' 41' ' ' LYS . 14.7 m -134.94 166.98 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.735 ' CD2' HG23 ' A' ' 38' ' ' ILE . 3.2 tm? -84.35 117.32 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.45 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 t0 -78.94 -41.99 28.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.632 ' OE2' HD21 ' A' ' 55' ' ' LEU . 9.8 pt-20 -172.89 159.51 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -122.07 126.49 48.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.754 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.0 mt -109.58 140.2 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 58' ' ' VAL . 50.8 mt-10 -121.24 154.23 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 40.25 50.63 3.66 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.754 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.2 m -110.88 172.86 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.159 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.09 161.18 41.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.8 31.57 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -94.61 -25.09 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.13 -27.04 14.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 55' ' ' LEU . 20.1 tp -64.47 -49.63 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -49.8 -33.27 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.76 -34.27 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -85.74 13.13 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.493 ' CD2' HG12 ' A' ' 75' ' ' ILE . 51.5 mt -114.73 148.71 40.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 123.37 10.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -94.83 10.77 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -122.99 -32.25 3.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -121.79 147.35 48.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.722 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 133.84 26.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -141.43 157.26 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.797 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.2 m-85 -98.21 138.75 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.798 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -148.45 129.06 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.597 HG23 ' HE2' ' A' ' 40' ' ' MET . 53.8 t -113.98 99.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -92.77 144.06 25.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.603 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 35.9 t -113.03 94.95 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 81.5 t80 -80.16 170.56 16.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 44.9 tttt -115.61 115.93 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.931 0.396 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.8 OUTLIER -106.82 86.87 2.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.35 5.03 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.985 HD21 ' CD1' ' A' ' 27' ' ' PHE . 6.5 mp -81.62 124.67 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.411 ' SG ' HD21 ' A' ' 144' ' ' LEU . 63.7 m -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.761 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.2 t80 -111.29 104.21 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mt -93.74 100.92 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -81.33 97.99 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.5 t -80.46 98.83 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.9 p -118.32 101.18 51.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.7 Cg_endo -69.77 114.9 3.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.418 HG23 ' ND2' ' A' ' 131' ' ' ASN . 6.9 t -42.19 -25.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.7 15.89 9.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 99' ' ' PRO . 29.5 p -96.61 161.75 13.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.448 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.88 155.96 52.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.59 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.448 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.9 tp10 -44.75 -28.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' MET . 6.6 mm100 -91.62 -47.71 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 3.1 mm100 -42.73 -33.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.3 mtm -72.21 -38.95 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.658 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 51.1 ttp -64.92 -44.09 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.658 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 75.1 m-85 -80.57 -41.18 24.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -48.49 -70.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.96 -56.52 23.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -46.91 -40.5 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.0 ttpt -49.69 -63.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.21 -54.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.71 -53.57 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -47.67 -52.02 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.39 -23.24 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -94.5 -34.07 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.688 ' CG2' HG13 ' A' ' 21' ' ' VAL . 4.6 m -66.48 -40.65 89.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.626 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -90.44 -3.63 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.7 48.11 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.761 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.9 mt -93.83 147.61 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -113.85 -31.1 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -99.26 113.25 25.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.6 t -120.84 113.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.1 m-85 -121.19 142.81 49.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -122.26 138.09 54.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 135' ' ' LEU . 15.5 pt -117.29 135.86 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.455 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 17.2 ptt180 -66.95 -30.2 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -146.12 144.17 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.0 p -53.61 -32.15 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -60.95 -20.76 62.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -76.03 -35.19 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.573 ' HB2' HD13 ' A' ' 129' ' ' ILE . 13.4 tp -63.72 86.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.9 p -125.75 166.88 16.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.8 -55.75 18.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.57 -52.39 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 32.7 t90 -54.16 -38.53 65.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 79' ' ' TYR . 18.4 tp -58.26 -70.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.56 -29.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.43 -41.47 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.93 -39.25 87.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.411 HD21 ' SG ' ' A' ' 93' ' ' CYS . 65.1 mt -66.7 -36.4 82.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 100.0 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 3.1 m-20 -103.11 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG12 HD22 ' A' ' 117' ' ' LEU . 34.3 m -97.2 126.03 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.764 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -69.38 127.09 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.21 -39.7 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -34.75 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tp -81.88 -51.43 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 HG21 ' A' ' 120' ' ' THR . 39.1 t -45.34 -55.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 7.7 pt-20 -42.39 -42.14 3.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 25.4 mttp -68.46 -45.93 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 121' ' ' ALA . 67.3 mt -59.93 -45.62 92.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 37.2 mtm180 -54.59 -42.57 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 29.4 mmtt -64.21 -37.38 87.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 1.025 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -51.26 -42.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -74.39 -35.38 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.0 m-85 -109.17 37.51 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -86.96 150.17 24.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -114.68 44.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.0 mm-40 -116.5 126.4 53.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.6 m -65.57 -47.98 73.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 9.1 p-80 -56.56 174.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.474 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.5 OUTLIER -89.31 -177.61 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.49 165.91 16.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.61 128.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.498 HD12 ' HD2' ' A' ' 27' ' ' PHE . 12.9 mt -113.68 115.25 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 22.3 mt -99.86 148.26 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.431 ' CE ' HG23 ' A' ' 76' ' ' VAL . 15.1 mtm -139.14 161.71 36.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HE2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -157.3 169.6 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.527 HD12 ' HE3' ' A' ' 109' ' ' MET . 15.4 mt -118.36 136.3 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.764 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.6 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 t -76.44 118.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.7 m -124.68 157.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 52' ' ' ASP . 1.4 tm? -73.13 123.64 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.591 ' N ' HD22 ' A' ' 51' ' ' LEU . 11.7 t0 -83.71 -46.18 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.529 ' OE1' HD21 ' A' ' 55' ' ' LEU . 6.6 pt-20 -166.5 162.09 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.08 115.55 22.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.583 ' HB3' HG11 ' A' ' 58' ' ' VAL . 24.8 mt -96.1 145.77 25.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.04 153.1 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.12 52.96 6.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.583 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.2 m -113.65 175.17 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -124.23 161.64 46.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HB3' HD22 ' A' ' 140' ' ' LEU . 53.9 Cg_endo -69.75 -17.68 37.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' HG22 ' A' ' 136' ' ' THR . 4.1 m-20 -95.23 -21.7 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -97.37 -34.35 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.471 HD13 HD12 ' A' ' 55' ' ' LEU . 11.4 tp -58.49 -50.83 72.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -47.2 -26.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -68.27 -38.8 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -81.52 15.43 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 75' ' ' ILE . 55.0 mt -120.01 151.76 53.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.24 56.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.264 . . . . 0.0 112.36 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -114.29 9.08 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 16.8 mtm105 -125.47 -25.61 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -124.93 145.26 49.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.73 135.1 29.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -142.57 157.43 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.859 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.7 m-85 -97.93 139.06 34.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.859 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.43 125.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.431 HG23 ' CE ' ' A' ' 40' ' ' MET . 51.1 t -113.06 99.64 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -95.48 150.75 19.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.607 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 43.4 t -117.34 94.99 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 93.0 t80 -75.21 169.3 18.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 52.3 tttt -114.5 105.37 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 25.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 1.3 m-30 -105.43 90.37 3.94 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.67 0.747 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 89' ' ' SER . 53.5 Cg_endo -69.78 120.29 7.1 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.025 HD21 ' CD1' ' A' ' 27' ' ' PHE . 6.3 mp -88.8 128.28 35.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -124.09 166.26 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 11.1 t80 -107.4 107.51 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 mt -96.92 101.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -80.48 91.77 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.4 t -72.17 96.64 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.4 p -118.24 101.4 51.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.8 115.43 4.09 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.465 HG23 HD22 ' A' ' 131' ' ' ASN . 13.8 t -39.56 -27.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -78.97 17.65 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -95.71 161.92 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -92.1 156.18 42.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.707 . . . . 0.0 110.87 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -49.32 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -42.68 -26.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -92.63 -49.69 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.0 mm100 -42.9 -34.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.98 -39.11 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.652 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 29.7 ttp -62.61 -41.37 98.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.652 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 65.0 m-85 -84.96 -44.2 13.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -42.68 -70.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.17 -57.8 6.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 p -48.86 -41.21 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ttpp -50.29 -62.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -34.57 -56.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.425 ' HE2' HG22 ' A' ' 16' ' ' VAL . 6.6 tttt -53.86 -50.21 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.637 HD22 HG12 ' A' ' 16' ' ' VAL . 5.5 mt -48.77 -49.42 38.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.405 HG21 HG21 ' A' ' 126' ' ' VAL . 47.7 t -54.71 -20.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -93.39 -33.34 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.527 HG21 HG22 ' A' ' 21' ' ' VAL . 27.6 m -70.96 -45.65 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -79.96 -3.39 48.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 43.46 20.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.8 mt -93.9 135.75 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.5 p -98.65 -35.11 10.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -93.12 121.65 34.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.419 HG11 ' NZ ' ' A' ' 114' ' ' LYS . 60.4 t -130.84 114.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 2.8 m-85 -120.97 152.82 38.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -129.25 140.56 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.531 HD13 ' HB2' ' A' ' 135' ' ' LEU . 18.0 pt -116.71 133.47 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.493 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 16.9 ptt180 -66.2 -29.72 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 2.4 m120 -149.22 134.27 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.2 p -42.27 -30.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.77 -43.48 80.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.597 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.43 -39.13 69.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.531 ' HB2' HD13 ' A' ' 129' ' ' ILE . 54.2 tp -55.9 86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' ASP . 80.3 p -132.32 170.6 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -58.8 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -51.12 -46.21 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.597 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 36.8 t90 -61.63 -44.27 97.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 79' ' ' TYR . 12.0 tp -54.66 -65.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -48.42 -32.42 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.36 -49.0 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.96 -38.35 90.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.7 mt -74.02 -29.8 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.776 ' N ' ' HG ' ' A' ' 113' ' ' SER . 72.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.453 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.4 m-20 -109.23 157.97 18.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.605 HG22 ' HE2' ' A' ' 116' ' ' LYS . 33.8 m -95.44 116.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.844 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -62.82 124.26 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -45.06 -45.78 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -38.49 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.638 ' CD2' HG12 ' A' ' 49' ' ' VAL . 11.8 tp -79.64 -53.53 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.534 HG12 ' HE ' ' A' ' 25' ' ' ARG . 93.1 t -39.41 -60.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' VAL . 5.9 pt-20 -37.34 -38.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -66.95 -43.16 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 21' ' ' VAL . 77.6 mt -63.55 -44.61 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HE ' HG12 ' A' ' 21' ' ' VAL . 29.9 mtt180 -51.59 -49.58 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.7 mmtt -62.11 -36.71 82.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.863 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.86 -46.83 68.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.45 -43.25 70.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.23 37.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -80.73 141.18 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -107.79 41.49 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 9.6 mm-40 -115.78 132.47 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -69.1 -46.21 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 15.3 p-80 -58.02 175.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -88.21 -176.67 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -165.63 163.14 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -156.32 121.38 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' HD2' ' A' ' 27' ' ' PHE . 17.9 mt -110.79 119.22 59.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.944 HD12 ' CG ' ' A' ' 53' ' ' GLU . 21.8 mt -97.87 140.53 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 12.0 mtm -134.46 142.46 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB3' ' NE ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -133.2 163.74 28.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -108.03 130.32 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.894 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.844 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.9 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.638 HG12 ' CD2' ' A' ' 20' ' ' LEU . 39.7 t -68.23 113.22 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.1 m -121.89 159.34 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.778 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.2 tm? -64.14 125.75 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.521 ' N ' HD13 ' A' ' 51' ' ' LEU . 7.2 t0 -93.44 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.944 ' CG ' HD12 ' A' ' 39' ' ' ILE . 7.0 pt-20 -174.43 160.0 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.53 122.07 37.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD21 ' OE1' ' A' ' 53' ' ' GLU . 21.7 mt -106.54 149.18 27.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -134.1 148.12 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.21 56.07 5.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG11 ' HB3' ' A' ' 55' ' ' LEU . 17.3 m -113.62 -179.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -124.04 158.98 58.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HB3' HD22 ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.71 -16.65 37.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.39 -23.4 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -94.56 -27.97 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.5 HD21 HG21 ' A' ' 75' ' ' ILE . 24.3 tp -61.43 -48.82 79.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.85 ' HB3' HD23 ' A' ' 135' ' ' LEU . 6.4 pttt -51.71 -33.45 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.55 -32.1 73.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.42 13.21 14.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 75' ' ' ILE . 81.1 mt -114.96 152.46 46.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.09 15.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.64 15.86 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.449 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 19.1 mtm105 -126.21 -30.81 2.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -125.91 145.68 52.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.582 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.452 ' NE ' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -129.2 158.86 37.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.809 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.1 m-85 -99.45 139.27 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.809 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -148.86 137.95 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.407 HG23 ' HE2' ' A' ' 40' ' ' MET . 92.7 t -119.31 101.43 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -100.17 160.18 14.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -133.49 95.07 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB2' HD21 ' A' ' 140' ' ' LEU . 79.7 t80 -72.89 169.07 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.7 tttt -111.21 107.86 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -112.72 92.51 20.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.76 . . . . 0.0 110.948 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.6 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.863 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.8 mm? -77.75 124.42 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . 0.602 ' SG ' HD21 ' A' ' 144' ' ' LEU . 84.8 m -124.07 155.29 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.908 ' HB2' HD13 ' A' ' 123' ' ' LEU . 33.9 t80 -105.31 110.22 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.658 HG21 HD13 ' A' ' 135' ' ' LEU . 39.7 mt -100.68 105.52 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -85.11 90.18 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -67.96 100.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.7 p -121.54 101.69 43.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 123.54 10.23 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 130' ' ' ARG . 27.5 m -45.14 -31.61 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.26 26.3 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.53 161.82 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -95.51 159.46 32.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 108' ' ' MET . 54.0 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -43.06 -30.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -91.26 -47.52 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.5 mm100 -44.47 -37.6 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 0.9 OUTLIER -68.02 -51.66 44.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.7 ttp -56.63 -49.02 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 82.2 m-85 -71.78 -40.66 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.04 -55.38 28.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.776 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 37.7 m -50.13 -41.74 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 18.6 ttpt -49.68 -57.93 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -36.84 -62.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.605 ' HE2' HG22 ' A' ' 16' ' ' VAL . 15.7 tttt -43.48 -48.97 7.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 49' ' ' VAL . 6.5 mt -50.89 -54.38 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.08 -18.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -95.85 -34.58 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.457 HG21 HG22 ' A' ' 21' ' ' VAL . 39.3 m -69.6 -46.54 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.27 -11.37 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 62.01 52.58 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.908 HD13 ' HB2' ' A' ' 94' ' ' PHE . 14.2 mt -91.86 162.58 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.0 p -125.75 -18.45 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -125.34 87.6 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.4 p -106.42 102.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 4.9 m-85 -95.65 165.08 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.29 132.81 30.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 pt -113.77 135.9 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.825 ' O ' HG13 ' A' ' 100' ' ' VAL . 4.6 ptt-85 -83.18 6.14 20.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -169.37 128.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.5 p -50.25 -33.91 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.84 -40.82 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -53.43 -37.78 62.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.85 HD23 ' HB3' ' A' ' 64' ' ' LYS . 16.5 tp -57.18 95.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.9 p -140.21 165.19 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -50.51 -55.72 14.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.07 -49.01 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TRP . . . . . 0.473 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 48.8 t90 -54.13 -47.54 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 79' ' ' TYR . 10.1 tp -49.42 -59.69 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -58.76 -28.81 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.75 -45.32 93.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.602 HD21 ' SG ' ' A' ' 93' ' ' CYS . 69.4 mt -70.6 -35.71 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -98.18 84.63 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 t -115.89 135.66 53.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.49 71.46 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -67.68 147.49 52.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 m -102.18 -55.13 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.5 160.82 34.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -103.8 145.94 29.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -95.32 88.28 5.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.1 t -165.11 124.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.1 mt -106.37 150.76 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -116.76 97.68 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -103.01 152.24 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 8.7 m -138.16 -179.47 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.4 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.1 m-20 -109.84 162.88 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.515 HG21 ' OG1' ' A' ' 120' ' ' THR . 8.5 m -92.41 126.62 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -68.89 134.03 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.11 -36.6 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -29.23 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 40' ' ' MET . 4.1 tp -92.26 -50.4 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 120' ' ' THR . 21.2 t -43.65 -53.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 5.0 pt-20 -43.11 -45.44 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 27.3 mttp -62.66 -47.8 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' A' ' 121' ' ' ALA . 81.4 mt -57.04 -47.22 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -53.58 -47.7 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' ARG . 28.9 mmtt -63.51 -40.12 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.965 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.56 -55.54 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -62.59 -46.45 88.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.799 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -93.79 32.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.634 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 9.5 ptm180 -67.09 136.33 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.79 21.28 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.48 176.55 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.1 m -115.02 -37.19 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -68.22 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -85.04 -179.99 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -162.2 159.89 26.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.87 119.62 6.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.86 119.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.938 HD12 ' HG3' ' A' ' 53' ' ' GLU . 22.3 mt -100.22 149.26 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.465 ' HG2' HD13 ' A' ' 20' ' ' LEU . 14.2 mtm -140.38 151.59 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -144.82 163.2 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.03 139.83 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -99.75 168.88 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -85.47 -32.7 22.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -96.07 -40.37 9.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.5 mm-40 -70.39 -21.58 62.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.14 37.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.8 tp -146.83 136.57 23.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG21 HD21 ' A' ' 117' ' ' LEU . 17.3 t -67.99 118.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.06 164.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.771 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.9 tm? -68.8 126.3 29.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.6 t0 -91.93 -45.11 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.938 ' HG3' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 -175.14 159.06 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.95 125.05 42.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.645 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.1 mp -104.96 154.08 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -134.18 144.29 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.18 53.96 5.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.645 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.5 m -110.84 173.43 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -116.89 158.87 42.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.748 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.888 ' HB3' HD23 ' A' ' 140' ' ' LEU . 53.8 Cg_endo -69.75 -13.89 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.389 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.86 -26.05 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.62 -27.98 15.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 75' ' ' ILE . 22.9 tp -58.79 -51.62 69.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -47.34 -29.86 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.04 -39.09 93.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.38 12.29 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD2' HG12 ' A' ' 75' ' ' ILE . 17.5 mt -116.76 150.33 45.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.58 45.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.25 18.3 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 -131.06 -36.42 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -118.98 148.14 44.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.81 132.68 23.76 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 14.5 tpp180 -135.45 157.85 45.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.86 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.2 m-85 -97.98 139.12 34.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.86 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -149.47 125.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.1 t -108.57 99.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -101.77 158.44 16.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -132.08 95.26 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 79.1 t80 -68.53 168.46 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.0 tttt -114.79 99.4 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -90.64 96.0 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 29.3 tp60 -80.67 143.51 32.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -109.78 132.78 53.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' ASP . 8.0 t0 -39.4 -55.82 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 84' ' ' ASP . 11.3 t0 -37.02 -41.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.78 -26.47 2.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 87' ' ' ARG . 10.2 ttm105 -76.03 145.94 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.432 HG21 ' CE ' ' A' ' 80' ' ' LYS . 2.4 p -142.43 129.74 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p -124.48 152.2 43.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -106.83 93.04 8.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.919 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.8 Cg_endo -69.69 121.66 8.36 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.965 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.1 mm? -77.73 126.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.479 ' SG ' HD21 ' A' ' 144' ' ' LEU . 3.2 m -131.8 154.59 48.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.867 ' HB2' HD13 ' A' ' 123' ' ' LEU . 5.2 t80 -105.23 115.49 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 135' ' ' LEU . 35.9 mt -102.28 101.98 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -78.61 88.74 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.03 101.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 89.1 p -124.25 101.32 34.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.7 Cg_endo -69.83 128.61 16.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 130' ' ' ARG . 3.5 t -50.73 -26.09 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.46 20.73 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.7 p -99.62 159.62 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 pttt -92.33 156.59 41.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -42.9 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.294 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 2.9 tp10 -48.14 -26.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -93.78 -41.21 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 1.6 mm100 -50.8 -37.23 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.4 mtm -63.26 -40.87 98.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.535 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 63.4 ttp -64.95 -56.82 10.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.9 m-85 -66.06 -33.13 75.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -61.4 -63.96 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.68 -33.19 84.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.9 m -71.57 -40.42 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.973 0.416 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.5 ttpt -49.65 -60.66 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.7 -62.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -45.7 -51.2 12.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 74' ' ' PHE . 7.0 mt -48.9 -55.85 10.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.6 -23.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -89.1 -35.72 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.643 HG23 HG13 ' A' ' 21' ' ' VAL . 2.8 m -67.74 -49.94 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.598 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -79.59 -4.84 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.89 46.29 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.867 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.1 mt -90.68 132.91 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.0 p -91.88 -41.39 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 1.9 mppt? -93.48 127.34 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.4 t -133.0 106.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -112.45 152.98 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -129.94 141.9 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 5.6 pt -119.25 136.55 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 100' ' ' VAL . 34.3 ptt180 -76.71 -10.08 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -156.83 131.47 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.4 p -50.23 -31.32 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -41.36 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.06 -40.64 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 95' ' ' ILE . 59.7 tp -58.43 95.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.2 p -138.77 174.12 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -54.77 -58.98 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 138' ' ' GLU . 1.4 tm-20 -52.38 -57.38 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 21.6 t90 -51.7 -29.49 18.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.888 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -61.94 -62.58 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -58.76 -20.47 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -66.43 -44.77 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -67.96 -41.27 82.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.479 HD21 ' SG ' ' A' ' 93' ' ' CYS . 54.1 mt -69.03 -28.13 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -77.36 -53.22 5.23 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.2 t -124.7 94.67 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 148' ' ' PRO . . . -97.35 -146.97 21.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 147' ' ' GLY . 54.3 Cg_endo -69.7 167.15 25.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.3 p -144.69 151.1 38.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.6 t -106.06 146.24 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.434 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' H1 ' ' HG3' ' A' ' 9' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -145.35 160.81 40.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 4' ' ' GLY . 7.7 t -154.75 124.45 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.58 40.96 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.488 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -166.89 145.63 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -116.14 42.44 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.0 -102.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -152.58 127.59 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.507 ' HG3' ' H1 ' ' A' ' 1' ' ' GLY . 32.1 tt0 -67.44 81.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 t -102.67 130.15 49.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.7 mt -92.82 154.25 18.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -118.18 104.33 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG13 ' HA ' ' A' ' 113' ' ' SER . 98.8 t -99.23 136.94 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m -111.12 -177.92 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.49 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.6 m-20 -107.88 163.4 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.56 HG21 ' OG1' ' A' ' 120' ' ' THR . 13.7 m -98.29 118.92 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.612 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -60.16 133.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -52.59 -41.48 63.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -54.39 -41.42 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 51' ' ' LEU . 1.7 tp -75.68 -50.17 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.632 HG22 HG21 ' A' ' 120' ' ' THR . 85.8 t -43.14 -61.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.33 -36.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 1.008 ' HD2' HD23 ' A' ' 51' ' ' LEU . 17.0 mttp -73.36 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 21' ' ' VAL . 59.4 mt -77.5 -48.49 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' CD ' HG12 ' A' ' 21' ' ' VAL . 14.6 mtp85 -49.85 -45.92 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' ARG . 20.4 mmtt -61.84 -39.94 93.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -54.73 6.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -64.8 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 1.8 m-85 -87.99 23.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.2 ptm85 -69.75 150.22 47.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -124.26 38.79 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.01 180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -115.61 -37.53 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -66.36 -177.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -93.19 172.78 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.69 157.74 34.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.714 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.88 118.44 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.733 HG23 HD13 ' A' ' 51' ' ' LEU . 6.2 mt -109.08 115.2 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 51' ' ' LEU . 15.0 mt -97.43 139.64 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.0 mtm -127.39 158.37 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 151.61 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 49' ' ' VAL . 10.4 mt -102.77 131.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 44' ' ' LYS . 5.5 t70 -85.7 168.13 14.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -90.66 -29.99 17.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -82.8 -70.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.83 -29.78 70.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 54.56 46.88 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 ' HB2' ' A' ' 17' ' ' ALA . 7.7 tp -132.09 161.43 33.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 42' ' ' ILE . 42.3 t -93.07 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.7 m -118.51 161.45 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.008 HD23 ' HD2' ' A' ' 23' ' ' LYS . 4.6 tp -80.75 121.09 25.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.592 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.5 t0 -72.47 -54.25 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -166.86 146.48 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.823 ' HG3' HD21 ' A' ' 51' ' ' LEU . 4.6 mt-10 -95.46 133.74 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.783 ' HB3' HG11 ' A' ' 58' ' ' VAL . 50.1 mt -115.01 107.54 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -99.53 154.95 17.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.35 58.76 4.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.783 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.0 m -120.23 177.72 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -123.48 159.23 56.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HB3' HD22 ' A' ' 140' ' ' LEU . 53.9 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.37 -22.7 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -97.36 -33.39 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.91 -46.38 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -54.2 -26.58 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.5 -34.19 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -83.74 14.95 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 75' ' ' ILE . 44.0 mt -119.2 150.33 48.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.0 46.84 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.48 8.75 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -120.45 -18.66 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -136.58 149.78 68.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 135.65 30.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.319 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -142.13 155.51 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.859 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.0 m-85 -98.65 138.46 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.859 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.39 125.67 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.414 ' CG1' HD21 ' A' ' 123' ' ' LEU . 94.8 t -107.94 99.74 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -99.06 159.88 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.0 t -132.29 95.14 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.508 ' HB2' HD21 ' A' ' 140' ' ' LEU . 66.1 t80 -70.24 161.13 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HG2' HG11 ' A' ' 88' ' ' VAL . 52.9 tttt -103.03 101.16 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.633 ' C ' HG13 ' A' ' 88' ' ' VAL . 2.4 t80 -89.02 104.72 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.837 ' HA ' HG22 ' A' ' 88' ' ' VAL . 18.8 tp60 -87.17 135.72 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -105.4 136.67 44.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' ASP . 6.5 t0 -40.1 -59.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' ASP . 0.5 OUTLIER -37.12 -37.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.57 -32.12 2.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 88' ' ' VAL . 2.6 tmm_? -68.71 148.43 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 82' ' ' GLN . 48.2 t -135.99 129.07 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m -118.1 144.57 45.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -106.28 90.3 4.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.3 Cg_endo -69.75 122.09 8.77 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.02 HD11 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -77.76 128.9 34.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.09 154.83 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.851 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.1 t80 -104.61 107.81 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mt -93.39 101.79 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.55 ' CZ ' ' OG ' ' A' ' 98' ' ' SER . 5.4 t80 -79.26 89.52 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.3 t -71.37 99.74 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.55 ' OG ' ' CZ ' ' A' ' 96' ' ' PHE . 3.7 m -120.24 101.16 47.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.8 Cg_endo -69.74 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 t -40.99 -27.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -80.52 20.74 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -96.53 161.42 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.9 ptmt -91.35 155.67 44.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.4 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.9 -28.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.418 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 10.6 mm100 -93.22 -46.65 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.3 mm100 -44.1 -34.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 1' ' ' GLY . 4.6 mtm -69.2 -45.18 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.514 ' HE3' HD12 ' A' ' 42' ' ' ILE . 31.5 ttp -59.84 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -73.49 -39.03 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.27 -69.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.58 65.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.504 ' HA ' HG13 ' A' ' 13' ' ' VAL . 43.0 m -51.92 -38.74 57.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.2 ttpp -51.85 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.0 t-20 -34.35 -50.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.539 ' HE2' HG22 ' A' ' 16' ' ' VAL . 5.3 tttt -54.72 -53.82 49.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.599 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -47.67 -52.93 16.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.414 HG21 HG21 ' A' ' 126' ' ' VAL . 56.1 t -46.69 -23.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -91.81 -35.11 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.632 HG21 HG22 ' A' ' 21' ' ' VAL . 19.4 m -69.78 -42.69 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.49 -1.97 54.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 58.74 44.43 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' A' ' 94' ' ' PHE . 14.5 mt -89.73 138.01 31.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -95.88 -46.73 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -93.79 138.14 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 94' ' ' PHE . 38.6 t -139.07 110.56 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.2 m-85 -113.44 152.69 29.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -128.67 143.33 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 3.8 pt -124.17 134.2 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -65.01 -27.26 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -147.41 143.79 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.8 p -56.04 -21.66 23.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.68 -40.2 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' THR . 1.4 m-20 -56.79 -38.04 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 7.4 tp -56.34 84.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' ASP . 62.4 p -128.33 164.92 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -49.98 -54.85 17.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -53.63 -48.96 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.458 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 31.6 t90 -59.46 -35.62 74.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 79' ' ' TYR . 10.9 tp -58.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -54.99 -20.86 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.8 -41.64 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.9 mmmt -71.03 -37.04 72.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.48 -37.0 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -79.49 -71.68 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.0 p -161.83 108.16 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -79.08 -147.09 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.93 66.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.7 t -156.02 161.91 40.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 57.2 p -90.09 114.46 26.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -68.1 143.33 55.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -97.57 170.25 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.85 82.21 1.03 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -82.41 98.34 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -53.89 161.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.46 -72.6 1.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -107.3 153.42 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -81.63 -8.14 59.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t 46.68 46.27 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -110.65 176.52 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.57 122.38 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 113' ' ' SER . 46.2 t -117.78 130.1 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.46 -174.92 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.15 158.61 19.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG12 HD22 ' A' ' 117' ' ' LEU . 25.7 m -90.15 128.7 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.86 131.47 45.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.83 -36.9 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -36.33 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -81.72 -52.74 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 17' ' ' ALA . 55.1 t -38.74 -54.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.69 -39.94 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 23.4 mttp -64.59 -50.72 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.66 HD13 ' HB2' ' A' ' 121' ' ' ALA . 87.0 mt -59.17 -40.13 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -54.24 -47.01 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.8 mmtt -64.4 -41.69 96.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.911 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.88 -53.63 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -61.79 -48.96 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -94.94 35.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.558 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 8.6 ptm180 -69.75 124.96 25.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -89.76 25.29 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -106.47 170.77 7.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.499 HG23 ' OH ' ' A' ' 90' ' ' TYR . 98.9 m -108.94 -43.16 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -55.88 179.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -89.29 176.89 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.558 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -160.23 160.61 32.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -155.88 114.03 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 mt -104.27 117.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 53' ' ' GLU . 12.8 mt -98.09 141.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.0 mtm -132.96 144.72 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 160.22 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mt -116.69 129.18 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -82.16 -178.46 7.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -89.58 -42.2 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.79 -51.2 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' LEU . 52.4 mm-40 -51.2 -24.69 4.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.21 37.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' GLU . 2.6 tp -139.29 136.86 35.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 117' ' ' LEU . 25.7 t -71.56 112.83 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.41 164.77 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.796 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.9 tm? -70.1 122.47 19.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' HD13 ' A' ' 51' ' ' LEU . 9.6 t0 -88.21 -44.75 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.876 ' HG3' HD12 ' A' ' 39' ' ' ILE . 9.5 pt-20 -176.07 149.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -111.01 123.34 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HB3' HG11 ' A' ' 58' ' ' VAL . 32.9 mt -108.22 144.41 35.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 58' ' ' VAL . 69.2 mt-10 -128.61 152.05 48.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.6 57.3 1.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.52 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.8 m -114.48 176.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.16 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -123.03 160.84 47.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.62 36.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -93.26 -30.81 14.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -93.83 -25.26 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 55' ' ' LEU . 12.1 tp -66.5 -53.62 32.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.6 pttp -48.87 -32.4 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.01 -33.18 74.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.95 17.57 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 64' ' ' LYS . 17.1 mt -122.97 152.0 62.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 132.07 22.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -101.89 21.32 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -128.83 -32.22 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -124.87 150.93 67.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.79 132.31 23.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -133.54 156.76 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.779 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.0 m-85 -99.2 135.99 39.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.779 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.9 mp -148.84 130.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.7 t -110.35 99.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -100.34 158.84 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 t -132.98 95.05 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.9 t80 -67.48 170.61 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 61.3 tttt -114.38 104.31 11.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.487 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.8 t80 -90.68 99.31 12.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 10.2 tm0? -84.64 133.78 34.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.443 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 89.9 m-70 -102.01 131.29 48.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -38.29 -54.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.75 -40.84 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.91 -37.67 1.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' NH2' ' HB2' ' A' ' 89' ' ' SER . 4.4 ttp180 -63.59 146.72 53.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.487 HG23 ' C ' ' A' ' 81' ' ' TYR . 3.8 p -144.87 132.73 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.422 ' HB2' ' NH2' ' A' ' 87' ' ' ARG . 7.4 t -125.63 161.93 26.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -116.31 93.54 39.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.709 0.766 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.78 120.7 7.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.911 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.6 mm? -77.61 124.22 27.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.3 m -129.01 158.8 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.693 ' HB2' HD13 ' A' ' 123' ' ' LEU . 14.6 t80 -103.78 109.24 20.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.403 HD13 HD13 ' A' ' 135' ' ' LEU . 72.0 mt -96.11 101.27 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.69 91.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 94.1 p -75.15 97.53 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.41 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 23.1 t -120.27 101.23 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.694 0.759 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.7 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 t -50.05 -24.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.3 21.66 4.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.0 p -103.89 160.27 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 156.07 58.94 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.62 -29.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -92.28 -45.89 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.4 mm-40 -42.54 -34.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.28 -46.02 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.3 ttp -58.62 -36.14 73.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.459 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 71.7 m-85 -87.59 -40.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.61 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.52 52.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.474 ' HA ' HG13 ' A' ' 13' ' ' VAL . 40.7 m -52.11 -38.54 57.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.904 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.501 ' NZ ' HG11 ' A' ' 126' ' ' VAL . 13.3 ttpp -51.32 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.8 t-20 -34.88 -62.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -45.01 -48.79 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.494 HD21 HG21 ' A' ' 49' ' ' VAL . 8.0 mt -52.69 -55.76 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.22 -25.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -88.18 -34.99 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.0 m -68.48 -55.24 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -70.93 -4.0 22.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 58.68 45.78 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 94' ' ' PHE . 8.8 mt -93.28 128.61 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.1 p -88.45 -46.19 9.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -90.66 127.01 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.501 HG11 ' NZ ' ' A' ' 114' ' ' LYS . 61.9 t -128.86 111.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 5.4 m-85 -114.56 145.91 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 141.25 52.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 11.2 pt -118.85 133.49 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 9.5 ptt-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 10.2 m-20 -147.78 137.4 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.5 p -48.15 -27.8 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.7 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.84 -35.47 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 45.3 tp -59.67 94.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.1 p -139.6 165.87 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.43 -61.1 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -49.34 -40.25 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.57 -45.17 95.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.59 -62.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -53.42 -22.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.36 -47.96 58.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -64.28 -43.27 95.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -39.34 88.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.48 -92.5 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.0 t -96.0 86.82 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -127.14 -143.44 5.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 110.67 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.732 2.288 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.2 m -71.51 98.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.5 t -95.84 146.31 24.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -141.16 145.26 35.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.6 p -100.11 164.99 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.88 -127.86 2.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -109.59 136.09 49.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -92.2 177.96 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.54 -144.14 4.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 11' ' ' LEU . 7.9 t 59.17 41.38 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -153.92 126.16 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p 44.0 43.95 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 8' ' ' SER . 74.6 mt -69.87 156.82 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.74 96.69 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.143 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -99.9 152.22 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 3.5 m -137.47 177.12 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.491 ' CB ' HD11 ' A' ' 48' ' ' LEU . 5.6 m-20 -106.01 158.9 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 117' ' ' LEU . 27.8 m -85.98 128.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -63.14 141.23 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.22 -25.56 67.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.5 OUTLIER -83.17 -55.07 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.4 t -40.1 -59.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.1 pt-20 -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 mttp -64.67 -38.55 91.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' VAL . 80.5 mt -70.9 -44.11 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -53.05 -47.73 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.1 mmtp -60.13 -37.97 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.901 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -50.33 -48.27 55.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.475 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.59 -44.41 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.47 35.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -79.36 141.8 36.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -109.33 36.41 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.4 mm-40 -109.1 141.39 41.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -78.97 -41.37 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.2 p-80 -63.35 176.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -84.42 -179.94 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.41 160.55 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.739 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -153.45 123.19 6.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.734 HG23 HD23 ' A' ' 51' ' ' LEU . 10.8 mt -114.27 119.5 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HD22 ' A' ' 51' ' ' LEU . 30.1 mt -101.33 126.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.886 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.3 mtm -114.81 147.35 39.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -147.26 156.29 42.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.8 mt -106.45 144.72 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -97.51 163.39 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -88.26 -15.96 34.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -107.08 -40.42 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -83.01 -12.07 57.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 32.24 41.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.491 HD11 ' CB ' ' A' ' 15' ' ' ASP . 10.2 tp -145.07 145.19 31.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 117' ' ' LEU . 11.7 t -68.66 139.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.621 HG23 ' HD3' ' A' ' 41' ' ' LYS . 31.1 m -145.42 164.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.734 HD23 HG23 ' A' ' 38' ' ' ILE . 2.8 tm? -85.63 118.75 25.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.489 ' CB ' ' HE2' ' A' ' 41' ' ' LYS . 15.5 t0 -77.72 -44.4 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -168.12 160.71 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -123.28 125.76 45.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD12 ' HB3' ' A' ' 37' ' ' ALA . 7.7 mt -106.19 150.23 26.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -130.34 145.86 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.7 51.58 10.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.659 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.1 m -106.73 177.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -124.17 161.42 47.42 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.645 0.736 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.675 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.71 -17.38 37.84 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.86 -28.91 18.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -95.41 -23.94 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.05 -49.1 77.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.39 -31.82 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.82 -29.13 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -91.45 14.61 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 75' ' ' ILE . 30.1 mt -119.65 149.55 48.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.548 0.69 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.14 39.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.95 20.36 18.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 -33.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -123.31 149.49 57.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 134.61 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -139.32 158.89 43.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.71 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.8 m-85 -98.45 138.97 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.71 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.2 mp -147.85 128.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.597 HG23 ' HE2' ' A' ' 40' ' ' MET . 53.5 t -112.46 99.94 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -104.61 152.98 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.472 ' OG ' HD22 ' A' ' 92' ' ' LEU . 20.3 t -122.99 94.93 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.443 ' HB2' HD13 ' A' ' 140' ' ' LEU . 64.3 t80 -67.54 162.59 23.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.5 tttt -107.63 98.71 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.427 ' HD2' HD13 ' A' ' 144' ' ' LEU . 1.6 t80 -87.24 94.47 9.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 24.3 tp60 -86.2 144.25 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' A' ' 82' ' ' GLN . 71.2 m80 -112.79 143.58 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.42 -55.81 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.96 -40.68 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 138.3 -31.05 2.47 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 89' ' ' SER . 1.7 tmm_? -65.92 132.77 49.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.425 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 2.9 p -136.09 127.61 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.418 ' HB3' ' NH1' ' A' ' 87' ' ' ARG . 58.2 p -123.48 150.77 43.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -105.71 90.21 4.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.688 0.756 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.5 Cg_endo -69.81 124.92 11.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.901 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.7 mm? -77.5 127.35 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 m -129.4 159.81 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.641 ' HB2' HD13 ' A' ' 123' ' ' LEU . 3.9 t80 -109.5 110.06 21.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.17 103.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -83.7 89.81 7.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 t -70.96 106.32 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -128.4 101.29 21.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.7 Cg_endo -69.76 115.38 4.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 100' ' ' VAL . 4.2 t -44.1 -23.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.85 15.82 9.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.2 p -99.8 161.79 13.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.2 155.41 54.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.76 3.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 4.6 tp10 -48.08 -27.21 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.7 mm-40 -92.84 -46.22 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -42.96 -37.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 mtm -71.54 -34.98 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.6 ' HE2' ' CE1' ' A' ' 110' ' ' TYR . 54.7 ttp -64.23 -35.31 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.6 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 79.4 m-85 -92.69 -32.56 14.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.5 -65.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.45 -49.43 64.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -58.43 -40.84 83.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 12.6 ttpt -48.77 -59.97 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.4 -65.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -44.1 -48.71 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 49' ' ' VAL . 6.1 mt -50.66 -54.89 19.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.61 -19.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -96.09 -30.75 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 -47.97 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.54 -7.41 56.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 62.27 45.79 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.2 mt -95.11 132.86 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.2 p -92.44 -38.94 11.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.23 128.61 39.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.78 108.51 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 3.5 m-85 -114.45 151.06 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -129.39 140.31 51.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.97 137.92 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.499 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 18.2 ptt180 -70.62 -29.86 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 1.7 m120 -144.8 139.73 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.6 p -49.62 -27.63 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.1 -33.25 75.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.81 -37.73 77.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.8 tt -55.23 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.75 165.45 27.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.53 -59.05 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.88 -39.29 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.22 -42.2 99.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 79' ' ' TYR . 11.9 mt -55.78 -62.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -52.43 -27.73 17.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.35 -46.32 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.96 -43.07 88.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.427 HD13 ' HD2' ' A' ' 81' ' ' TYR . 72.7 mt -63.56 -39.11 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -112.94 60.22 0.35 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 10.9 p -117.46 92.79 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 82.35 142.47 4.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 4.38 2.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.4 m -64.22 100.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.9 t -62.87 123.69 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -124.03 144.95 49.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -102.65 -43.98 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.818 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.5 -145.22 8.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -58.15 172.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -116.24 -60.95 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.811 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.33 152.28 22.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 p -136.63 168.29 19.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -82.81 45.09 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -91.61 127.72 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 108' ' ' MET . 70.4 mt -115.38 141.75 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.7 97.37 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -100.52 139.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m -128.08 167.13 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.675 ' HB2' HD11 ' A' ' 48' ' ' LEU . 8.4 m-20 -94.93 172.46 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG1' HD22 ' A' ' 117' ' ' LEU . 23.9 m -98.3 124.11 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -61.85 134.02 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -49.05 -45.35 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -27.21 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.9 OUTLIER -83.94 -54.01 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.558 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.4 t -45.94 -58.91 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 5.7 pt-20 -38.55 -40.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.5 mttp -63.98 -53.16 54.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 121' ' ' ALA . 92.8 mt -57.23 -38.23 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -55.55 -44.91 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.0 mmtp -67.96 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.89 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.69 -53.32 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 28' ' ' ARG . 5.5 mmm180 -62.88 -46.01 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.7 33.64 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 7.8 ptm180 -72.78 128.52 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -92.92 37.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -114.46 160.82 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -101.91 -34.19 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -69.33 173.51 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.467 ' N ' HD21 ' A' ' 35' ' ' ASN . 0.7 OUTLIER -84.05 175.45 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -160.64 162.74 32.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -151.53 119.69 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mt -107.53 114.81 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.891 HD12 ' CG ' ' A' ' 53' ' ' GLU . 26.7 mt -96.31 146.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.681 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.8 mtm -138.51 160.34 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 162.94 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 110' ' ' TYR . 64.5 mt -108.2 132.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.67 179.81 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.75 -21.52 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.02 -62.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' C ' ' HD2' ' A' ' 47' ' ' ARG . 44.3 mm-40 -95.14 -15.75 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER 57.07 55.0 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 15' ' ' ASP . 2.6 tp -144.33 144.43 31.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.631 HG12 ' CD1' ' A' ' 20' ' ' LEU . 21.5 t -68.68 122.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -127.94 155.05 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.4 tm? -57.03 128.01 34.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.533 ' N ' HD13 ' A' ' 51' ' ' LEU . 11.6 t0 -93.82 -45.64 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.891 ' CG ' HD12 ' A' ' 39' ' ' ILE . 10.0 pt-20 -175.29 151.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -115.19 129.49 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.624 ' HB3' HG11 ' A' ' 58' ' ' VAL . 41.0 mt -113.03 147.9 36.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.46 146.47 52.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 47.11 53.94 10.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 55' ' ' LEU . 15.0 m -114.83 169.68 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -117.15 159.59 40.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.693 0.759 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.915 ' HB3' HD23 ' A' ' 140' ' ' LEU . 53.3 Cg_endo -69.76 -12.91 33.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -95.2 -28.24 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -96.64 -28.18 14.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.48 -46.99 83.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.4 pttp -50.42 -36.55 33.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 5.3 t0 -56.6 -36.24 69.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -85.17 20.47 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 64' ' ' LYS . 26.5 mt -126.05 148.74 64.17 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 125.54 12.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -95.26 11.87 30.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -121.83 -36.11 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -119.18 147.58 43.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.79 130.48 19.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -133.65 157.1 46.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.881 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.9 m-85 -98.5 138.24 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.881 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.5 mp -149.74 132.61 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 100.1 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -101.13 158.78 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.507 ' OG ' HD22 ' A' ' 92' ' ' LEU . 25.8 t -133.01 95.23 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 87.0 t80 -70.55 168.84 15.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 65.2 tttt -111.99 104.99 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -96.19 97.82 9.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -80.34 130.38 35.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -94.01 136.27 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -46.76 -46.44 20.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 84' ' ' ASP . 4.0 m-20 -44.0 -36.93 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.27 -30.79 2.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -76.95 152.62 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 p -142.68 137.4 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 25.0 p -133.22 151.49 51.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -102.87 95.85 6.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.739 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 89' ' ' SER . 53.8 Cg_endo -69.78 120.2 7.02 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.2 mm? -77.44 122.6 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 m -125.54 166.99 15.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.94 ' HB2' HD13 ' A' ' 123' ' ' LEU . 5.3 t80 -118.02 106.69 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.481 HG21 HD13 ' A' ' 135' ' ' LEU . 36.1 mt -94.2 101.81 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.82 86.53 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 t -64.45 106.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 11.1 t -132.61 101.26 14.42 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.691 0.757 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.76 133.77 26.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 130' ' ' ARG . 3.2 t -53.59 -26.48 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.72 21.1 5.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.1 p -99.05 155.72 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 156.58 51.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.76 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -45.9 -25.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.0 mm100 -93.37 -48.04 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -44.17 -34.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.465 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -77.93 -30.16 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' GLN . 44.5 ttp -68.46 -34.76 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 66.2 m-85 -94.33 -29.64 14.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -56.48 -62.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.08 -46.54 69.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -38.14 90.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.895 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 115' ' ' ASN . 9.3 ttpt -49.7 -62.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.1 t-20 -35.47 -58.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -49.5 -50.39 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.477 HD22 ' CG1' ' A' ' 16' ' ' VAL . 5.5 mt -49.67 -50.82 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.61 -19.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.02 -34.42 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.558 ' CG2' HG13 ' A' ' 21' ' ' VAL . 41.3 m -67.21 -41.76 85.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.67 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -89.2 -2.42 58.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 56.36 49.69 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.94 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.6 mt -95.05 136.36 35.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.1 p -95.09 -48.04 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 124.25 33.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.23 109.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 10.4 m-85 -110.06 148.32 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -127.24 127.94 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 135' ' ' LEU . 14.8 pt -102.12 139.39 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -77.64 -5.95 52.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -171.53 137.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.8 p -45.83 -34.14 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.8 -39.84 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.441 ' OD1' ' NH2' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -57.65 -39.08 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 95' ' ' ILE . 65.9 tp -60.95 92.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 60.2 p -138.88 170.52 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.91 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -49.85 -49.63 48.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.463 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 49.5 t90 -58.14 -37.87 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.915 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -53.02 -59.52 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -62.15 -25.5 67.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.97 -48.19 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 6.4 mmmt -64.47 -42.82 95.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.9 mt -69.65 -34.11 73.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -71.83 -78.55 0.47 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 12.6 t -104.58 89.46 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.2 -136.87 6.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.79 18.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.8 t -128.0 166.68 17.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.0 t -79.8 98.31 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -77.01 97.54 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -128.07 161.85 28.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.94 -173.78 50.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -131.72 40.66 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 m -44.97 125.98 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -178.83 27.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.8 p -41.09 113.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -137.8 121.63 17.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.3 t -81.46 91.67 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.24 159.66 14.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -122.87 95.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 p -98.4 150.3 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 m -135.3 -174.96 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 2.6 m-20 -110.54 172.84 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.518 HG22 ' HE3' ' A' ' 116' ' ' LYS . 30.5 m -108.76 117.94 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -58.7 129.58 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.59 -35.06 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.78 -30.23 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 14.1 tp -87.89 -51.98 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.545 HG22 HG21 ' A' ' 120' ' ' THR . 58.0 t -42.67 -54.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.95 -41.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.486 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.6 mttp -66.06 -53.8 33.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' A' ' 121' ' ' ALA . 77.0 mt -52.78 -43.71 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -53.38 -46.03 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.9 mmtp -65.28 -42.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.929 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.68 -56.87 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 5.6 mmm180 -60.06 -47.8 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.94 35.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.2 ptm180 -69.38 123.44 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 41.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 9.9 mm-40 -122.28 -178.13 3.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.3 m -121.92 -39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.22 169.27 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -73.79 177.7 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.55 154.16 13.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.783 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.55 113.89 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -103.3 119.95 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.887 HD12 ' HG3' ' A' ' 53' ' ' GLU . 14.8 mt -98.84 143.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 15.9 mtm -135.57 161.62 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 173.09 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 49' ' ' VAL . 43.5 mt -116.95 133.53 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.37 -175.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -101.75 -30.3 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -120.0 -54.11 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -45.52 -35.73 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 58.5 55.04 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -150.51 133.69 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.561 ' N ' HD13 ' A' ' 48' ' ' LEU . 19.2 t -71.68 122.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -124.42 166.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.794 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.9 tm? -73.82 123.75 24.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' HD13 ' A' ' 51' ' ' LEU . 13.0 t0 -89.2 -44.94 9.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.887 ' HG3' HD12 ' A' ' 39' ' ' ILE . 5.9 pt-20 -171.96 170.28 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.16 127.33 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.783 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 1.7 mm? -103.08 133.81 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 mt-10 -119.29 143.2 47.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 34.92 52.77 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.71 HG11 HD12 ' A' ' 55' ' ' LEU . 12.0 m -106.39 176.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 162.95 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.664 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.4 Cg_endo -69.77 -12.52 33.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.73 -26.5 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -96.7 -27.38 14.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.42 -48.61 74.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -53.99 -24.4 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.05 -28.49 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -89.28 13.33 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 75' ' ' ILE . 13.6 mt -120.13 151.24 52.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.41 16.15 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -128.49 -29.34 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -126.17 151.36 71.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.4 Cg_endo -69.77 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -139.21 157.87 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.78 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.6 m-30 -98.63 136.59 38.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.0 mp -149.1 131.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.57 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -102.22 155.85 17.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.603 ' OG ' HD22 ' A' ' 92' ' ' LEU . 22.2 t -131.23 94.8 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.483 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 75.5 t80 -69.27 169.34 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HE2' HG21 ' A' ' 88' ' ' VAL . 58.0 tttt -113.69 107.84 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.435 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.8 t80 -94.9 99.3 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -83.28 134.62 34.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -101.65 129.66 47.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -38.5 -47.06 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.47 -43.59 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.61 -35.48 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -69.57 146.93 51.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.493 HG21 ' HE2' ' A' ' 80' ' ' LYS . 3.1 p -143.44 133.83 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.0 m -128.33 150.59 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -103.48 95.25 6.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.77 120.91 7.62 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.929 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.59 122.49 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.12 157.46 41.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.8 t80 -103.14 110.47 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.46 100.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -81.92 93.6 6.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 59.8 p -73.11 98.67 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 p -119.83 100.98 48.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 115.47 4.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.42 ' H ' HG23 ' A' ' 100' ' ' VAL . 8.3 t -43.72 -25.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.92 21.15 4.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.4 p -102.62 161.81 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 156.59 51.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -47.68 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.256 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -44.79 -27.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 109' ' ' MET . 9.1 mm100 -91.94 -48.15 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 7.0 mm100 -42.96 -34.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.548 ' HE2' ' CE1' ' A' ' 110' ' ' TYR . 13.4 ttp -62.36 -38.57 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.548 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 90.1 m-85 -90.99 -31.36 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -58.37 -69.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.68 -42.59 85.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -62.7 -40.75 98.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.6 ttpt -47.79 -57.56 5.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.03 -63.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' A' ' 16' ' ' VAL . 1.5 tttp -45.38 -50.72 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.684 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 6.4 mt -50.43 -56.51 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -47.7 -21.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.545 HG21 HG22 ' A' ' 21' ' ' VAL . 25.7 m -67.08 -44.15 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.739 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -82.04 -4.85 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 61.54 49.66 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.4 mt -102.9 132.91 48.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 45.9 p -94.0 -45.43 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -85.13 124.52 31.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.19 113.06 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 7.6 m-85 -116.74 146.2 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -125.99 131.14 52.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 44.3 pt -104.43 137.96 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -65.19 -30.64 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.45 142.42 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 38.2 p -44.55 -32.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.46 -40.15 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.8 t0 -54.26 -41.03 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.5 tt -50.04 94.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.8 p -141.86 156.27 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -48.79 -54.78 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 20.1 t90 -62.48 -43.53 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.38 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -50.26 -29.29 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.46 -44.13 95.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 23.2 mt -66.62 -37.66 85.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.5 -70.24 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.508 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.4 t -112.24 99.42 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -129.19 -129.94 3.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 124.82 11.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 65.5 m -68.15 104.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.3 m -114.45 118.1 32.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -151.59 122.68 7.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -91.36 134.82 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.8 113.81 0.58 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.7 m -127.5 42.4 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -43.34 -45.34 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.33 -105.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -112.34 150.28 31.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -106.54 101.0 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 t -118.15 47.6 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 11' ' ' LEU . 5.0 mp -58.16 170.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.8 t -126.8 96.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 1.2 p -95.68 152.36 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 30.3 m -139.59 -176.54 4.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.674 ' HB2' HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -102.79 170.8 7.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -103.18 121.9 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.77 126.34 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.37 -49.68 53.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -35.08 22.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 50' ' ' VAL . 1.7 tp -82.27 -52.63 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ALA . 51.9 t -39.58 -53.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.9 -38.29 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.541 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.4 mttp -67.71 -37.93 82.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.657 HD11 ' SD ' ' A' ' 40' ' ' MET . 74.7 mt -72.56 -48.54 39.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' HG12 ' A' ' 21' ' ' VAL . 54.5 mtm180 -50.82 -48.57 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -58.65 -38.05 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.13 -54.13 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.73 -45.48 89.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.79 34.7 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -70.66 122.95 20.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 1.3 pptp? -89.32 32.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 65.3 mm-40 -113.18 166.71 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -105.42 -43.76 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 12.3 p-80 -54.74 178.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -86.49 178.78 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.09 157.26 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.98 118.77 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.411 HD12 ' HD2' ' A' ' 27' ' ' PHE . 27.1 mt -108.15 122.96 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 ' CG ' ' A' ' 53' ' ' GLU . 39.2 mt -102.02 141.36 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.657 ' SD ' HD11 ' A' ' 24' ' ' LEU . 14.8 mtm -133.92 164.23 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 176.45 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.99 133.16 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.68 169.94 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -41.63 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -89.61 -54.8 3.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' ARG . 9.0 mm-40 -52.73 -22.43 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.4 38.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 15' ' ' ASP . 3.3 tp -149.21 144.54 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 117' ' ' LEU . 22.1 t -68.0 116.36 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.528 ' C ' HD22 ' A' ' 20' ' ' LEU . 18.2 m -120.18 169.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.571 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.4 tm? -75.16 122.85 24.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -86.84 -45.05 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.82 ' CG ' HD12 ' A' ' 39' ' ' ILE . 8.4 pt-20 -173.88 170.08 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -135.11 128.0 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB3' HG11 ' A' ' 58' ' ' VAL . 25.1 mt -113.82 149.77 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' GLY . 34.8 mt-10 -125.67 150.1 47.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.48 60.66 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.727 HG11 ' HB3' ' A' ' 55' ' ' LEU . 10.8 m -113.46 174.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -122.75 161.76 42.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.586 ' O ' HD22 ' A' ' 135' ' ' LEU . 52.9 Cg_endo -69.88 -10.69 29.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.641 2.227 . . . . 0.0 112.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -28.17 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -95.29 -24.03 16.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.475 HD13 HD12 ' A' ' 55' ' ' LEU . 14.5 tp -61.71 -57.38 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 2.1 pttt -46.54 -37.02 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.492 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -58.49 -34.94 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -89.51 17.36 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 75' ' ' ILE . 60.4 mt -120.93 150.59 53.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.13 17.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -101.58 21.12 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -129.25 -32.53 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 99' ' ' PRO . 16.1 mt-30 -125.54 151.42 70.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.566 0.698 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 97' ' ' SER . 54.0 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -133.26 156.67 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.834 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.4 m-30 -97.83 138.01 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.834 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.2 mp -149.37 127.98 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.2 t -109.75 99.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -98.67 158.44 15.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -131.58 95.18 3.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' HB2' HD21 ' A' ' 140' ' ' LEU . 62.6 t80 -69.78 169.76 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.3 tttt -116.68 97.05 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -87.29 99.3 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -87.28 137.98 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -100.73 128.98 46.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.08 -40.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.78 -43.76 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.8 -35.81 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -71.98 148.29 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.416 HG21 ' CE ' ' A' ' 80' ' ' LYS . 3.1 p -144.11 133.08 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -126.0 157.93 36.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -113.49 91.96 22.0 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.709 0.766 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.2 Cg_endo -69.82 124.07 10.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.893 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.8 mm? -77.81 125.72 29.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.52 153.66 47.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.884 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -103.79 107.26 18.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.5 101.09 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -81.83 98.53 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 13.4 t -78.9 95.22 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -114.17 101.07 53.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.679 0.752 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.433 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 53.9 Cg_endo -69.78 122.02 8.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 t -49.36 -24.53 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.68 20.7 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 p -104.56 161.93 13.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -85.9 153.37 57.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.715 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -40.93 4.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.73 -27.24 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -93.87 -41.29 9.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.0 mm-40 -46.81 -36.11 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.1 mtm -72.57 -39.86 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 54.4 ttp -60.5 -41.19 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.632 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.5 m-85 -86.49 -34.61 19.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -57.41 -69.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.24 88.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 m -62.1 -40.64 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.5 ttpt -49.76 -60.77 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -33.82 -56.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -46.81 -53.99 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.53 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.8 -52.85 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 123' ' ' LEU . 83.1 t -44.22 -26.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -90.67 -38.86 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.534 ' CG2' HG13 ' A' ' 21' ' ' VAL . 15.7 m -65.17 -39.44 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.58 -3.71 59.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 62.23 47.06 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.884 HD13 ' HB2' ' A' ' 94' ' ' PHE . 6.9 mt -95.53 143.34 26.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -107.68 -32.66 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -104.56 126.74 51.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.435 HG21 HG21 ' A' ' 118' ' ' VAL . 22.0 t -130.65 117.7 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 14.3 m-85 -121.31 139.34 53.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -118.74 129.48 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.494 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 28.6 pt -106.7 131.83 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 10.4 ptt-85 -63.47 -27.64 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 8.1 m-20 -147.18 144.55 29.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.6 p -53.57 -30.72 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.48 -42.29 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.93 -39.21 62.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.7 tt -56.73 89.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.2 p -134.68 162.56 31.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -49.24 -55.63 11.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.49 -49.67 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 14.3 t90 -57.68 -37.96 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 79' ' ' TYR . 17.7 tp -59.76 -64.76 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -55.15 -24.2 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.25 -41.07 94.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.71 -38.25 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.55 -37.77 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -73.96 -41.75 39.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.1 m -80.43 43.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 60.82 140.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.88 49.07 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.248 . . . . 0.0 112.316 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.0 t -105.31 113.65 27.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 93.2 p -113.76 104.19 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -95.91 151.93 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -160.98 115.79 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.98 118.42 4.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -134.84 141.35 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -78.1 -51.25 10.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.26 140.73 0.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -165.78 162.36 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.818 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -126.08 108.49 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -174.76 149.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.31 163.72 13.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.09 96.02 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 p -97.62 150.33 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 m -137.26 176.1 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.656 ' HB2' HD11 ' A' ' 48' ' ' LEU . 3.7 m-20 -100.27 162.68 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 16' ' ' VAL . 30.4 m -94.67 120.66 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.38 132.47 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.89 -45.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -54.78 -26.31 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.67 -54.29 4.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 17' ' ' ALA . 41.3 t -40.4 -49.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 6.5 pt-20 -43.94 -42.38 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 36.1 mttt -64.78 -53.4 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 121' ' ' ALA . 84.1 mt -53.21 -43.09 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -53.68 -44.7 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 31.4 mmtt -68.32 -40.59 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.857 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -42.23 -55.77 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -61.25 -47.37 86.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -95.31 35.39 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LYS . 5.3 ptm85 -73.67 122.13 21.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -89.2 37.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -117.58 150.5 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -86.21 -46.45 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -55.47 178.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.604 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -91.35 -179.49 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.76 157.91 27.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.51 115.34 5.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.535 HD12 ' HD2' ' A' ' 27' ' ' PHE . 17.6 mt -105.87 119.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 53' ' ' GLU . 15.6 mt -99.4 140.72 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.9 mtm -129.86 167.98 17.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.25 169.75 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.7 mt -114.64 131.16 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -73.35 -175.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.44 -37.37 8.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -98.23 -54.59 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -54.07 -36.39 63.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 54.27 49.59 18.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 15' ' ' ASP . 8.0 tp -150.13 141.74 23.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HD21 ' A' ' 117' ' ' LEU . 22.9 t -70.84 106.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.28 158.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.486 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.2 tm? -64.95 129.21 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -91.49 -46.35 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.644 ' CG ' HD12 ' A' ' 39' ' ' ILE . 11.0 pt-20 -173.83 163.71 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -121.22 124.38 44.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.696 ' HB3' HG11 ' A' ' 58' ' ' VAL . 47.9 mt -109.7 131.36 55.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 58' ' ' VAL . 15.1 mp0 -117.31 155.11 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.82 59.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 55' ' ' LEU . 18.2 m -116.43 175.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -126.15 161.44 51.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.745 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.79 -10.35 28.32 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -33.07 12.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -91.66 -32.68 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 55' ' ' LEU . 23.0 tp -53.94 -53.05 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.699 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.6 pttt -51.05 -33.77 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 7.2 t0 -62.71 -32.83 74.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -86.52 18.85 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 64' ' ' LYS . 19.4 mt -124.3 152.07 67.25 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.583 0.706 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 137.54 35.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.363 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.69 12.68 30.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.87 -30.8 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -126.85 151.23 73.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.78 43.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -142.36 157.71 44.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.771 ' C ' HD12 ' A' ' 75' ' ' ILE . 20.2 m-85 -98.71 139.43 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.771 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.1 mp -148.64 135.64 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.9 t -119.62 99.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -103.69 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.1 t -131.48 94.66 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CD1' HD23 ' A' ' 140' ' ' LEU . 57.2 t80 -66.03 169.79 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 62.3 tttt -114.92 97.33 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -87.38 100.3 12.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.423 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 41.5 tp60 -88.79 138.44 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -102.87 133.77 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -43.51 -41.59 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.0 -46.71 52.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.34 -31.35 1.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -73.73 143.25 46.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.423 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 3.2 p -142.81 130.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -126.99 159.67 33.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -109.97 94.73 18.35 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.698 0.761 . . . . 0.0 110.885 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.3 Cg_endo -69.82 123.26 9.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.857 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.3 mm? -77.43 124.89 28.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.435 ' SG ' HD21 ' A' ' 144' ' ' LEU . 32.8 m -130.56 158.69 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 4.6 t80 -106.52 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -102.89 100.93 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -82.06 96.1 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.8 t -72.39 96.07 1.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.0 p -116.29 101.13 53.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.9 13.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 130' ' ' ARG . 11.9 t -48.27 -28.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.89 24.07 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.5 p -100.32 161.22 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.0 ptmt -96.02 156.33 37.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 107' ' ' GLN . 53.7 Cg_endo -69.74 -46.48 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.46 -29.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 25.6 mm-40 -92.47 -40.1 11.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.1 mm100 -50.01 -37.09 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -69.17 -39.96 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.544 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 44.2 ttp -61.43 -47.6 85.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.544 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 86.8 m-85 -79.97 -32.6 39.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -58.06 -66.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.61 93.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 m -61.59 -42.39 98.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 12.3 ttpt -47.22 -57.62 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -35.03 -66.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -40.33 -48.01 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.503 HD21 HG21 ' A' ' 49' ' ' VAL . 8.4 mt -53.75 -53.49 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.18 -17.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -95.22 -34.78 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.468 ' CG2' HG13 ' A' ' 21' ' ' VAL . 26.8 m -70.22 -42.57 72.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.579 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -83.96 -2.22 56.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 57.8 52.83 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' A' ' 92' ' ' LEU . 4.9 mt -103.98 132.28 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.1 p -95.65 -37.03 11.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -89.34 129.36 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.17 113.1 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.9 m-85 -121.74 140.69 52.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.66 134.09 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' ' 129' ' ' ILE . 32.5 pt -108.42 129.97 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.715 ' O ' HG23 ' A' ' 100' ' ' VAL . 24.6 ptt180 -69.35 -17.3 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -149.97 129.78 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.9 p -45.15 -30.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.581 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.3 t0 -46.01 -44.71 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.745 HD22 ' O ' ' A' ' 60' ' ' PRO . 2.2 tt -53.02 96.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.5 p -142.9 157.93 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -44.23 -52.76 7.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.96 -55.61 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.581 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 39.0 t90 -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.519 HD23 ' CD1' ' A' ' 79' ' ' TYR . 10.9 tp -53.46 -61.64 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -55.77 -26.65 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -64.86 -43.61 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.67 -38.0 73.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.435 HD21 ' SG ' ' A' ' 93' ' ' CYS . 55.4 mt -69.25 -34.94 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.62 42.15 2.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.8 t -90.79 39.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.47 140.85 6.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 96.24 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 41.7 t -49.76 -19.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 28.4 p -92.32 134.77 34.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 p -73.47 150.59 41.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -50.91 -58.89 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.08 164.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -81.16 113.56 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -155.28 175.84 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.64 -130.71 6.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.554 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -57.16 125.92 24.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -134.72 79.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 m 40.46 52.33 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 108' ' ' MET . 22.7 mt -79.19 160.34 26.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -113.9 99.15 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.6 t -94.06 134.46 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.3 m -113.46 -175.26 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 4.7 m-20 -108.09 168.1 9.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG12 HD22 ' A' ' 117' ' ' LEU . 15.3 m -98.97 124.4 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -64.39 127.5 31.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.13 -38.97 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.49 -30.48 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp -85.63 -53.88 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.603 HG22 HG21 ' A' ' 120' ' ' THR . 25.0 t -41.29 -51.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.8 pt-20 -43.76 -44.39 6.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 43.9 mttt -62.92 -56.49 16.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 121' ' ' ALA . 79.3 mt -49.79 -44.44 49.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 33.2 mtm180 -53.91 -44.07 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ARG . 19.2 mmtm -65.76 -46.31 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.963 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.08 -51.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -63.46 -48.28 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.6 m-85 -97.89 36.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.4 ptm85 -75.91 127.78 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.42 35.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.8 mm-40 -121.63 146.47 46.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 ' OH ' ' A' ' 90' ' ' TYR . 96.5 m -89.48 -37.74 14.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 2.7 p-80 -58.24 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -96.63 179.62 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.573 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -164.65 170.06 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -157.67 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.06 122.62 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.724 HD12 ' HG3' ' A' ' 53' ' ' GLU . 14.6 mt -102.93 145.91 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.4 mtm -137.68 145.06 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -136.37 162.94 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.88 138.41 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -95.74 -175.68 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.45 -5.31 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -111.53 -67.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' ARG . 15.1 mm-40 -61.85 -11.41 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.76 43.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.4 tp -141.12 140.69 34.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 27.5 t -70.95 119.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.46 161.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.6 tm? -71.87 123.45 22.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -86.56 -45.94 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.724 ' HG3' HD12 ' A' ' 39' ' ' ILE . 13.5 pt-20 -173.74 163.11 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 6.4 mt-10 -123.54 126.91 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.707 ' HB3' HG11 ' A' ' 58' ' ' VAL . 15.2 mt -111.72 131.13 55.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -114.57 153.96 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.22 60.27 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.707 HG11 ' HB3' ' A' ' 55' ' ' LEU . 16.4 m -117.23 178.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.13 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -129.35 162.1 54.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.524 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.7 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -94.93 -31.31 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -93.35 -29.75 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.95 -54.1 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -51.4 -28.48 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.53 -29.14 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -90.88 10.66 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 75' ' ' ILE . 39.4 mt -115.59 150.96 45.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 133.21 24.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -103.16 18.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -128.65 -31.12 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -124.23 148.01 56.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 54.3 Cg_endo -69.74 129.5 17.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 13.9 tpp180 -133.09 157.26 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.816 ' C ' HD12 ' A' ' 75' ' ' ILE . 20.8 m-85 -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.816 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.3 mp -148.69 129.41 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.3 100.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -94.28 144.9 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.612 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 47.8 t -112.03 94.66 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 67.8 t80 -79.63 169.55 17.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.784 ' CE ' HG21 ' A' ' 88' ' ' VAL . 59.9 tttt -112.19 127.21 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -115.47 97.51 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 10.7 tm0? -82.67 137.29 34.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.476 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 71.4 m80 -104.18 141.52 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.51 -59.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -42.29 -42.46 3.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.5 -33.01 1.7 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 83' ' ' HIS . 18.2 tpp180 -59.01 141.95 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.784 HG21 ' CE ' ' A' ' 80' ' ' LYS . 4.0 p -145.61 132.57 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -130.32 160.53 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -109.84 87.78 6.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.671 0.748 . . . . 0.0 110.923 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 109.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.963 HD21 ' CD1' ' A' ' 27' ' ' PHE . 7.6 mp -78.22 124.6 28.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.69 158.36 28.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.482 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 18.0 t80 -96.82 110.98 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.9 mt -101.01 101.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -82.77 93.29 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 91.4 p -69.9 94.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -114.15 101.85 54.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.79 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.401 HG11 ' HD2' ' A' ' 130' ' ' ARG . 33.5 m -39.39 -36.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.61 27.94 2.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' PRO . 14.8 p -94.8 161.99 13.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.6 ptmt -95.85 155.43 38.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.547 0.689 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.15 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.761 2.307 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -40.83 -30.8 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.455 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 29.4 mm-40 -92.45 -48.42 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.1 mm100 -42.73 -32.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.41 ' HB3' HD23 ' A' ' 11' ' ' LEU . 4.3 mtm -70.77 -53.33 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.0 ttp -55.17 -44.66 75.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 68.9 m-85 -75.42 -44.97 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -49.95 -69.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.17 -56.6 18.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.3 m -49.08 -41.66 36.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.396 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 11.8 ttpt -48.95 -59.45 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.92 -65.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.554 ' HE2' HG22 ' A' ' 16' ' ' VAL . 12.3 tttt -44.46 -49.29 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.637 HD22 HG12 ' A' ' 16' ' ' VAL . 5.7 mt -50.29 -50.97 48.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 71.3 t -52.87 -20.09 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -94.04 -34.45 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.603 HG21 HG22 ' A' ' 21' ' ' VAL . 55.0 m -67.39 -44.32 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.803 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -84.68 -2.45 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 56.47 48.52 16.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.04 132.7 44.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.2 p -92.3 -46.2 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.6 mppt? -82.91 123.25 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -130.81 108.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -113.63 148.07 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -129.38 130.32 45.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 pt -104.63 134.38 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 9.7 ptt-85 -68.95 -29.1 67.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 4.0 m-20 -144.82 138.46 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.7 p -46.87 -35.74 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.23 -36.12 68.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.478 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.59 -41.94 74.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.8 tt -52.78 95.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 72.7 p -142.26 160.33 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.73 -56.28 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.11 -40.77 67.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.478 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 41.7 t90 -60.95 -42.73 98.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 79' ' ' TYR . 11.4 mt -53.94 -70.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -45.14 -29.6 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -63.57 -45.92 88.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.19 -41.48 73.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.1 -37.23 85.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -114.18 63.34 0.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 35.8 p -117.7 83.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 61.18 140.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 92.56 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.677 2.251 . . . . 0.0 112.307 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.1 t -62.9 120.68 11.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.5 m -113.38 135.26 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -85.83 165.32 16.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -139.26 173.04 11.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.67 -61.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.549 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t 59.79 42.86 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -118.32 130.02 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.15 102.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 t -159.74 112.56 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.03 40.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.2 p -99.25 86.46 3.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt -82.05 141.31 33.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.1 t -108.32 97.89 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.0 t -99.84 130.48 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.66 -174.76 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.494 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.7 m-20 -113.16 172.46 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.561 HG22 ' HE3' ' A' ' 116' ' ' LYS . 35.5 m -106.43 130.64 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.649 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -72.69 136.91 45.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -50.67 -47.4 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.34 -21.74 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.792 HD11 ' HG2' ' A' ' 40' ' ' MET . 1.6 tt -91.35 -54.1 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 120' ' ' THR . 19.4 t -44.59 -54.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 10.9 pt-20 -44.38 -41.77 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.503 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 3.4 mtpp -63.13 -48.49 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 121' ' ' ALA . 83.7 mt -56.07 -44.31 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -56.18 -47.88 77.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.5 mmtt -62.82 -37.91 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.88 -49.99 37.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.609 HH21 HD23 ' A' ' 92' ' ' LEU . 1.1 mmp_? -66.51 -46.0 77.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -95.4 30.93 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.4 ptm180 -69.93 122.52 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -87.46 37.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.67 152.1 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 m -92.17 -40.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -63.0 175.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.61 178.97 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.86 159.97 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -154.33 121.69 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.604 HD12 ' HD2' ' A' ' 27' ' ' PHE . 33.5 mt -110.26 114.04 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.975 HD12 ' CG ' ' A' ' 53' ' ' GLU . 17.7 mt -92.28 144.26 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.792 ' HG2' HD11 ' A' ' 20' ' ' LEU . 12.4 mtm -137.02 147.17 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -142.28 169.81 16.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -112.59 136.21 49.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.03 -179.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -97.34 -20.43 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.38 -56.05 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -32.17 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 mmt-85 54.83 54.86 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -139.8 132.27 28.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' ' 20' ' ' LEU . 18.6 t -71.34 116.22 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.592 ' CA ' HD12 ' A' ' 20' ' ' LEU . 33.6 m -124.84 154.4 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.515 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.0 tm? -58.58 130.95 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' N ' HD22 ' A' ' 51' ' ' LEU . 12.9 t0 -98.26 -43.43 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.975 ' CG ' HD12 ' A' ' 39' ' ' ILE . 14.2 pt-20 -174.31 154.53 2.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.81 120.38 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.2 mp -103.31 123.19 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -107.39 150.04 27.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.19 58.88 1.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.727 HG11 ' HB3' ' A' ' 55' ' ' LEU . 14.6 m -115.68 168.32 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -112.12 162.04 23.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.537 ' HB3' HD11 ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.8 -17.48 37.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.37 -18.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.52 -26.96 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 75' ' ' ILE . 12.6 tp -64.83 -55.45 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.729 ' HB3' HD23 ' A' ' 135' ' ' LEU . 4.5 pttp -44.94 -33.46 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HG3' HD21 ' A' ' 55' ' ' LEU . 4.0 mm-40 -82.1 14.16 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' CD2' HG12 ' A' ' 75' ' ' ILE . 42.7 mt -119.05 152.26 51.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.44 27.96 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -103.81 20.95 17.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -134.75 -34.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -118.3 147.44 41.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.75 131.95 22.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 12.8 tpp180 -135.43 157.63 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.66 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.4 m-85 -99.99 133.37 44.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 75' ' ' ILE . 1.1 mp -147.61 131.12 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -112.51 100.06 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -98.89 155.62 17.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.2 t -125.77 95.02 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 49.4 t80 -63.28 170.44 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 66.0 tttt -116.94 91.66 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.48 100.59 10.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.433 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 22.6 tp60 -88.15 139.19 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -105.74 139.25 40.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -47.12 -47.78 23.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 84' ' ' ASP . 5.4 t70 -42.72 -35.49 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.79 -27.44 3.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -78.23 144.38 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.433 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 2.4 p -139.2 130.13 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -120.74 163.03 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -118.96 92.42 45.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.94 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.79 126.06 12.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.02 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.0 mm? -77.4 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.5 m -130.88 148.43 52.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.749 ' HB2' HD13 ' A' ' 123' ' ' LEU . 7.1 t80 -99.64 109.44 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.45 HD13 ' CD1' ' A' ' 135' ' ' LEU . 51.5 mt -95.63 101.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.59 89.39 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.3 t -71.58 102.32 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.405 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 57.8 p -126.61 101.28 27.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 54.3 Cg_endo -69.69 115.19 3.97 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 100' ' ' VAL . 6.3 t -42.96 -25.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 16.3 8.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' PRO . 12.4 p -97.25 161.57 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 156.03 52.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.558 0.694 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.9 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -43.54 -28.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.484 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 25.2 mm-40 -92.42 -44.73 8.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.0 mm100 -45.75 -33.08 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.3 mtm -72.88 -36.88 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.556 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 56.2 ttp -64.68 -44.04 91.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 86.4 m-85 -82.59 -41.04 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -47.27 -69.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.49 -55.68 28.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 m -47.13 -37.3 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' ASN . 14.6 ttpt -52.4 -56.94 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.4 t-20 -34.92 -63.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.561 ' HE3' HG22 ' A' ' 16' ' ' VAL . 1.3 tttp -45.38 -49.8 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 74' ' ' PHE . 5.6 mt -49.76 -55.58 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.93 -20.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.72 -33.56 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.675 ' CG2' HG13 ' A' ' 21' ' ' VAL . 74.6 m -71.63 -37.73 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.84 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -88.89 -5.59 57.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 58.23 53.95 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 94' ' ' PHE . 13.2 mt -105.82 138.34 42.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.8 p -99.82 -35.06 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.71 120.83 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.46 107.61 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 8.1 m-85 -112.56 150.87 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -129.16 140.95 51.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' A' ' 135' ' ' LEU . 21.9 pt -117.99 134.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.504 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 16.3 ptt180 -62.98 -32.65 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 2.8 m120 -147.41 144.96 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.5 p -49.15 -29.97 6.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.86 -41.71 87.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -37.8 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 64' ' ' LYS . 59.4 tp -57.07 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.5 p -141.45 165.16 28.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.17 -59.38 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.9 -41.8 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -59.94 -42.2 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 60' ' ' PRO . 11.4 mt -55.63 -61.82 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -52.54 -21.87 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.77 -43.5 62.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.514 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.14 -41.42 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.4 mt -71.02 -37.28 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -56.62 -56.99 21.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.1 m -142.58 113.44 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -135.18 -131.34 3.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.78 3.23 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.2 t -79.37 145.68 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 48.2 t -66.39 142.88 57.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -116.2 99.47 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -148.59 122.55 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.62 140.98 11.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -136.0 168.42 19.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -169.24 133.31 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.39 -108.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.2 p -96.58 116.06 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -66.34 81.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -130.71 119.01 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -118.8 167.37 11.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.54 96.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 p -104.5 150.91 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.3 m -135.0 -179.04 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -100.73 172.27 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.8 m -103.08 119.81 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.36 123.91 17.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.32 -36.27 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.34 74.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 2.4 tp -83.45 -53.38 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 17' ' ' ALA . 40.5 t -39.78 -49.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.0 pt-20 -43.73 -43.32 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 34.9 mttp -66.82 -51.19 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 121' ' ' ALA . 77.4 mt -53.42 -45.32 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -53.55 -47.57 69.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 30.3 mmtt -64.84 -42.35 94.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.89 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -39.78 -54.55 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -58.83 -48.69 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -98.01 36.55 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.5 ptm85 -73.17 123.94 24.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -86.01 38.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 10.6 mm-40 -119.22 149.78 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.2 m -91.17 -44.48 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.3 p-80 -54.45 176.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.56 174.51 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.05 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.811 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -153.2 115.64 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.518 HD12 ' HD2' ' A' ' 27' ' ' PHE . 22.7 mt -104.43 125.17 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.949 HD12 ' CG ' ' A' ' 53' ' ' GLU . 18.1 mt -103.61 147.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.453 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 13.5 mtm -137.6 153.65 49.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 164.75 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.7 mt -119.57 134.61 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.15 -174.19 5.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -103.03 -10.41 18.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -121.15 -46.69 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 47' ' ' ARG . 5.6 mm-40 -61.31 -16.5 46.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.07 38.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.2 tp -147.99 140.06 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.532 HG21 HD11 ' A' ' 117' ' ' LEU . 46.2 t -69.36 118.47 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.8 159.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.642 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.9 tm? -68.27 131.96 46.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.0 t0 -100.75 -44.76 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.949 ' CG ' HD12 ' A' ' 39' ' ' ILE . 9.1 pt-20 -171.87 166.67 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.7 mt-10 -127.92 132.0 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.811 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.3 mm? -105.73 134.75 48.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' GLY . 46.8 mt-10 -120.02 142.43 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.38 49.54 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.785 HG11 HD12 ' A' ' 55' ' ' LEU . 10.9 m -103.05 179.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -127.38 162.12 50.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.48 ' O ' HD22 ' A' ' 135' ' ' LEU . 54.1 Cg_endo -69.76 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.21 -27.27 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -97.19 -31.11 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 HG21 ' A' ' 75' ' ' ILE . 28.5 tp -58.37 -52.87 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.9 pttt -49.23 -23.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.17 -32.88 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -84.43 14.14 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.4 mt -122.84 151.54 61.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.24 53.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.57 9.94 23.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 25.5 mtm105 -121.17 -25.88 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -130.13 152.39 80.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 141.91 46.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -143.78 156.88 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.829 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.3 m-85 -98.26 138.83 34.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.829 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -149.35 131.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.5 99.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -101.58 158.07 16.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t -131.46 94.55 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.8 t80 -68.25 169.64 10.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 64.9 tttt -115.17 100.58 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.7 t80 -88.41 98.91 11.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 9.8 tm0? -87.65 133.78 33.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 72.7 m80 -102.07 132.83 47.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -39.44 -50.39 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -46.23 10.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 146.49 -36.18 1.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.67 139.85 58.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 81' ' ' TYR . 3.5 p -142.99 136.24 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.7 m -133.34 153.03 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 94.41 7.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.0 Cg_endo -69.75 123.35 10.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.1 mm? -77.36 122.76 25.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.453 ' SG ' HD21 ' A' ' 144' ' ' LEU . 17.3 m -127.82 153.85 46.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.895 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -102.34 109.32 20.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.09 100.93 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.13 92.68 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.0 t -78.43 102.94 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -122.93 101.22 39.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.5 4.12 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.443 HG23 ' ND2' ' A' ' 131' ' ' ASN . 14.8 t -43.92 -26.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 22.51 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.06 161.81 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 157.37 58.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -44.8 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -47.56 -25.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -93.98 -40.83 9.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.8 mm-40 -48.26 -37.3 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -73.34 -43.55 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.536 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 59.6 ttp -56.63 -33.89 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 64.0 m-85 -93.77 -37.08 11.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -53.92 -69.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.08 -50.75 57.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.407 ' O ' HD13 ' A' ' 117' ' ' LEU . 1.9 m -54.5 -41.19 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.3 ttpt -47.84 -61.13 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.24 -58.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -49.31 -53.68 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.538 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.63 -55.32 11.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 79.7 t -45.41 -27.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -89.09 -38.82 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 m -65.31 -45.21 85.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.553 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -80.97 -1.76 45.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 57.5 48.83 13.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 94' ' ' PHE . 7.5 mt -98.06 129.42 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.0 p -90.94 -46.93 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -89.36 128.74 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 79.7 t -129.46 112.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.5 m-85 -116.53 140.71 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -120.83 139.75 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.51 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 22.9 pt -117.36 136.06 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.529 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 20.3 ptt180 -64.9 -32.26 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 2.1 m120 -146.64 140.86 26.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -45.03 -33.43 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -54.42 -41.3 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -40.73 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -56.31 89.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 82.7 p -136.85 163.59 30.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -49.08 -58.1 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -54.07 -51.16 64.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.7 t90 -54.72 -41.48 70.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 79' ' ' TYR . 11.7 tp -54.21 -65.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -53.65 -27.46 27.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -62.6 -42.66 99.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.9 mmmt -69.66 -39.11 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.453 HD21 ' SG ' ' A' ' 93' ' ' CYS . 68.7 mt -71.9 -33.99 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.43 49.15 1.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.6 m -106.59 82.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.24 140.9 8.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 91.81 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 t -126.86 149.23 49.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 41.2 t -107.81 144.42 35.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -85.69 125.46 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.391 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 m -91.84 -52.41 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.15 88.4 1.08 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -80.96 140.23 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -119.87 -55.69 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.7 -116.87 0.55 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 p -115.67 132.71 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -153.83 106.74 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m 63.22 44.47 5.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 108' ' ' MET . 11.1 mt -86.46 153.74 21.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG12 ' HA ' ' A' ' 109' ' ' MET . 10.3 p -127.39 95.28 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.23 138.02 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m -129.53 168.91 15.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.655 ' HB2' HD11 ' A' ' 48' ' ' LEU . 12.6 m-20 -95.64 163.93 12.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 16' ' ' VAL . 22.5 m -96.12 122.49 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' CB ' HG12 ' A' ' 50' ' ' VAL . . . -58.93 133.41 56.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -49.14 -45.11 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -23.87 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.651 HD21 ' HG2' ' A' ' 40' ' ' MET . 1.3 tt -86.15 -55.14 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' CG2' ' A' ' 120' ' ' THR . 12.2 t -45.4 -59.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 7.1 pt-20 -37.82 -39.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 20.3 mttp -68.75 -42.65 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 121' ' ' ALA . 53.1 mt -62.62 -53.14 59.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -47.9 -50.91 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' ARG . 14.9 mmtt -61.68 -37.05 82.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -49.29 -55.16 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -63.33 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -95.37 30.2 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.0 ptm85 -66.77 125.22 25.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -93.5 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' A' ' 30' ' ' ARG . 48.3 mt-10 -117.21 177.96 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -115.89 -35.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 32' ' ' GLU . 7.7 p-80 -70.62 176.51 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -84.87 177.23 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.68 161.68 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -150.89 120.96 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.39 114.38 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.036 HD12 ' CG ' ' A' ' 53' ' ' GLU . 47.1 mt -94.28 146.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.651 ' HG2' HD21 ' A' ' 20' ' ' LEU . 15.4 mtm -140.79 159.13 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.782 ' HZ3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -157.78 170.48 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.36 135.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.02 177.94 6.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -98.24 -56.15 2.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.37 -30.41 63.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 47' ' ' ARG . 7.3 mt-10 -94.08 -17.9 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.61 43.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 15' ' ' ASP . 9.1 tp -140.05 139.37 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' LEU . 19.7 t -67.84 114.93 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' HZ3' ' A' ' 41' ' ' LYS . 12.1 m -122.57 160.38 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.744 HD13 ' C ' ' A' ' 51' ' ' LEU . 1.9 tm? -64.86 127.33 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.539 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 14.7 t0 -91.78 -47.25 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 1.036 ' CG ' HD12 ' A' ' 39' ' ' ILE . 10.1 pt-20 -171.51 144.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -111.67 123.7 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HB3' HG11 ' A' ' 58' ' ' VAL . 3.5 mt -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -122.7 151.04 41.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.68 48.67 28.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 55' ' ' LEU . 5.8 m -109.57 176.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -125.03 161.43 49.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.83 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -15.42 37.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -94.75 -25.89 16.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.19 -24.56 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD21 HG21 ' A' ' 75' ' ' ILE . 15.8 tp -66.54 -51.75 53.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' CB ' HD23 ' A' ' 135' ' ' LEU . 5.9 pttp -48.51 -27.98 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.5 -35.93 82.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.26 14.72 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.456 HD13 HG12 ' A' ' 75' ' ' ILE . 16.2 mt -118.29 149.77 46.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 53.5 Cg_endo -69.72 127.91 15.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -94.92 7.8 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -123.17 -34.04 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -115.87 143.14 30.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.76 126.23 13.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 12.9 tpp180 -129.14 158.01 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.744 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.2 m-85 -98.18 139.91 33.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.762 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -148.57 146.18 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.495 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 54.4 t -130.85 99.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -101.46 154.48 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.5 t -126.34 95.04 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' HB2' HD21 ' A' ' 140' ' ' LEU . 64.0 t80 -67.43 169.8 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.5 tttt -115.12 99.4 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.513 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.6 t80 -89.63 101.78 14.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 83' ' ' HIS . 2.2 tm0? -86.24 135.44 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 82' ' ' GLN . 91.6 m-70 -102.9 134.7 45.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -39.94 -55.15 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.82 -39.26 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.28 -31.68 2.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -69.61 146.95 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.513 HG23 ' C ' ' A' ' 81' ' ' TYR . 3.9 p -144.2 130.6 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p -125.48 150.75 47.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -105.1 92.92 5.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.1 Cg_endo -69.76 121.16 7.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.314 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.95 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.78 123.85 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 144' ' ' LEU . 3.5 m -126.11 159.22 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.904 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.4 t80 -106.49 117.34 33.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.1 mt -107.37 101.8 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.28 91.6 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 t -69.98 101.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 2.6 t -127.96 102.27 22.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.5 Cg_endo -69.76 128.13 15.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' ' 131' ' ' ASN . 35.8 m -48.45 -32.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.25 2.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.07 158.13 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -86.68 155.39 56.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 108' ' ' MET . 54.0 Cg_endo -69.75 -50.47 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -41.26 -30.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.6 mm-40 -88.36 -51.05 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -43.33 -33.42 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.419 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -83.87 -27.67 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.808 ' HA ' HG12 ' A' ' 12' ' ' VAL . 37.4 ttp -68.63 -42.3 78.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.504 ' CE2' ' HE2' ' A' ' 109' ' ' MET . 57.2 m-85 -83.38 -48.11 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -38.49 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.0 -46.23 9.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -68.01 -25.7 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.7 ttpp -60.08 -58.55 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -35.34 -63.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -50.1 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.16 -51.21 45.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.33 -19.52 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.39 -34.12 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.5 ' CG2' HG13 ' A' ' 21' ' ' VAL . 8.1 m -70.58 -53.15 17.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.84 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -73.44 -6.45 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 58.16 53.49 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.904 HD13 ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -95.48 144.65 25.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.19 -34.18 7.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -103.58 118.27 36.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.38 110.44 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 8.6 m-85 -112.6 154.5 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -130.9 142.86 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 135' ' ' LEU . 21.0 pt -117.49 138.2 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.442 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 11.2 ptt180 -70.06 -26.12 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 100' ' ' VAL . 1.6 m-80 -153.49 134.34 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 56.2 p -40.53 -29.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.74 -44.89 90.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -52.16 -36.95 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.557 ' HB2' HD13 ' A' ' 129' ' ' ILE . 53.9 tp -61.33 87.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.6 p -130.84 178.18 6.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.4 -62.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -51.5 -56.68 12.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 41.9 t90 -47.69 -33.63 7.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 79' ' ' TYR . 13.8 tp -64.34 -61.8 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -58.38 -17.8 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.92 -41.13 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.52 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.22 -38.41 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 93' ' ' CYS . 72.5 mt -74.07 -31.44 62.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.47 -48.53 23.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 68.4 m -151.84 107.91 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -96.95 -146.96 21.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.44 21.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.63 2.22 . . . . 0.0 112.372 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.0 t -101.4 126.29 48.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 49.6 m -59.33 147.29 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -120.82 163.35 18.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 p -66.33 167.29 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.04 156.25 20.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -113.6 112.94 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -104.8 149.5 25.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.01 -45.24 0.46 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.6 p -108.12 162.72 13.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -109.54 95.86 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.3 m -127.41 144.72 51.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.4 mt -107.97 145.18 34.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.57 103.6 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG13 ' HA ' ' A' ' 113' ' ' SER . 78.5 t -104.01 146.82 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 p -127.96 152.5 47.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' LEU . 5.3 m-20 -87.88 160.0 18.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 120' ' ' THR . 32.7 m -92.97 119.38 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -61.5 141.65 57.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.3 -46.2 72.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.92 -31.22 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 10.5 tp -85.01 -52.98 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 17' ' ' ALA . 29.7 t -44.77 -52.06 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.9 pt-20 -42.61 -44.28 4.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 33.1 mttt -65.01 -53.89 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.2 mt -51.27 -45.47 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -52.7 -46.47 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' ARG . 21.3 mmtm -64.32 -42.06 96.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.939 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.4 -49.52 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.47 -50.26 68.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.93 36.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' NH2' ' CD ' ' A' ' 32' ' ' GLU . 4.3 ptm85 -74.55 125.42 28.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -89.66 39.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.49 ' CD ' ' NH2' ' A' ' 30' ' ' ARG . 10.6 mt-10 -118.47 146.3 44.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.9 m -87.02 -39.7 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -60.48 179.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.549 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -89.06 175.12 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.45 160.74 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -156.95 116.82 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' HD2' ' A' ' 27' ' ' PHE . 34.1 mt -105.32 119.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 53' ' ' GLU . 15.6 mt -97.51 140.86 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 15.0 mtm -136.31 133.79 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -124.5 173.66 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 54.9 mt -118.03 136.98 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.82 -176.57 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -21.53 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -117.76 -51.26 2.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -57.74 -14.92 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.67 46.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.9 tp -145.47 136.49 24.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.95 121.1 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.402 HG23 ' HE3' ' A' ' 41' ' ' LYS . 35.5 m -124.66 158.04 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.725 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.4 tm? -71.8 129.78 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.538 ' N ' HD13 ' A' ' 51' ' ' LEU . 11.8 t0 -93.97 -47.1 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 39' ' ' ILE . 12.3 pt-20 -168.35 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.3 mt-10 -124.5 116.39 22.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.683 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.4 mp -96.29 124.25 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' GLY . 41.3 mt-10 -110.7 151.79 27.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.77 58.33 1.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.683 HG11 ' HB3' ' A' ' 55' ' ' LEU . 14.2 m -112.6 179.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 p -124.37 157.9 63.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.687 0.756 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.79 -13.19 34.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.97 -28.76 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.37 -33.06 15.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.469 HD21 HG21 ' A' ' 75' ' ' ILE . 19.6 tp -57.07 -50.57 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -49.9 -26.96 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.08 -31.12 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -86.96 12.78 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 75' ' ' ILE . 33.0 mt -117.38 150.3 46.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.714 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -106.06 11.75 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -123.27 -24.24 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -133.22 149.37 72.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.659 0.743 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.7 137.12 34.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 tpp180 -137.63 156.66 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.723 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.8 m-85 -98.12 135.3 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.723 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.3 mp -148.46 138.91 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 61.1 t -122.35 99.67 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -103.2 153.84 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' HD22 ' A' ' 92' ' ' LEU . 45.2 t -125.75 94.93 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 62.1 t80 -64.54 169.81 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.8 tttt -115.18 104.2 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.5 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.7 t80 -89.53 97.39 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 4.2 tp60 -90.5 133.62 34.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -100.47 150.07 23.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -48.71 -59.72 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -42.98 -43.43 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 146.08 -31.49 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.451 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -57.8 137.78 56.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.5 HG23 ' C ' ' A' ' 81' ' ' TYR . 5.2 p -144.96 133.97 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -131.69 153.25 50.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -110.84 89.47 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.958 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.0 Cg_endo -69.75 123.17 9.84 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.939 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.5 mm? -77.32 125.38 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.8 m -130.97 148.75 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.819 ' HB2' HD13 ' A' ' 123' ' ' LEU . 16.5 t80 -94.75 113.87 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 135' ' ' LEU . 66.2 mt -98.88 101.16 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.12 91.32 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.2 t -72.34 106.38 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -127.33 101.23 25.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.18 22.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 130' ' ' ARG . 35.3 m -51.84 -33.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.62 28.08 2.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 p -99.9 156.86 16.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 157.42 40.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.539 0.685 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 108' ' ' MET . 53.5 Cg_endo -69.78 -49.98 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.65 -28.32 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -93.78 -45.92 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.0 mm100 -45.94 -42.49 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 1.3 mtm -63.51 -38.79 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 ttp -62.46 -57.21 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 72' ' ' PRO . 80.9 m-85 -68.0 -34.86 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -56.04 -67.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.02 76.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.588 ' HA ' HG13 ' A' ' 13' ' ' VAL . 26.1 m -56.15 -43.42 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.4 ttpt -45.84 -56.83 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.5 t-20 -35.17 -61.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -47.99 -49.15 31.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.46 HD11 ' CE2' ' A' ' 74' ' ' PHE . 7.1 mt -51.42 -56.68 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.84 -21.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -91.62 -35.51 14.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.614 HG21 HG21 ' A' ' 16' ' ' VAL . 91.8 m -67.33 -46.58 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.94 -2.26 46.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.12 50.99 14.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 94' ' ' PHE . 8.2 mt -97.91 127.01 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.0 p -87.68 -45.66 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -86.13 120.47 27.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -123.12 113.02 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 4.3 m-85 -115.21 139.97 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -121.26 140.57 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 135' ' ' LEU . 26.9 pt -120.63 128.5 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.673 ' O ' HG13 ' A' ' 100' ' ' VAL . 1.4 ppt_? -80.09 9.85 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -171.75 121.69 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -43.76 -36.46 2.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.57 -40.88 69.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.456 ' OD2' ' CD1' ' A' ' 139' ' ' TRP . 2.2 t70 -53.75 -35.88 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 95' ' ' ILE . 66.9 tp -60.76 91.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 64.6 p -140.55 167.56 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.55 -59.65 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.44 -43.13 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.456 ' CD1' ' OD2' ' A' ' 134' ' ' ASP . 65.5 t90 -58.47 -47.25 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 60' ' ' PRO . 11.6 mt -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -54.66 -29.13 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.63 -47.15 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.27 -44.35 88.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.08 -36.85 80.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.86 -41.49 96.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.1 p -170.13 124.52 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -118.48 -137.98 5.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.28 20.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 54.4 m -80.6 95.79 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 97.6 p -80.68 142.03 34.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 t -128.17 42.57 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 m -155.42 152.94 29.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.49 159.51 28.96 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -165.8 142.56 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 110.891 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -87.2 149.32 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.65 158.83 25.2 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 10' ' ' SER . 4.1 t -112.46 172.82 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.827 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 8' ' ' SER . 14.1 pt-20 33.68 34.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 8' ' ' SER . 29.3 t -111.08 90.26 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.93 172.8 7.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -118.76 102.84 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.5 t -96.21 148.44 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.7 m -126.0 -175.67 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.18 162.26 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' HB ' HG22 ' A' ' 21' ' ' VAL . 23.1 m -99.48 122.96 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -69.02 122.3 18.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.64 -47.7 10.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -46.64 6.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD21 ' HG2' ' A' ' 40' ' ' MET . 1.9 tp -79.57 -51.62 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.594 HG13 ' CG2' ' A' ' 120' ' ' THR . 40.1 t -41.45 -48.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -46.73 -41.34 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 38.0 mttt -60.64 -52.59 64.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' ' 121' ' ' ALA . 65.7 mt -54.79 -46.92 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -55.11 -35.39 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ARG . 52.9 mmtt -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.956 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -39.2 -55.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -59.82 -46.83 88.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -97.19 32.48 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.2 ptm85 -67.94 125.69 27.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -83.59 40.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -125.45 179.04 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -122.68 -24.94 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -75.04 173.81 10.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -84.07 178.29 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . . . -165.84 168.92 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.34 127.32 9.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.6 mt -115.06 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.685 HD12 ' CG ' ' A' ' 53' ' ' GLU . 23.1 mt -98.91 142.83 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.456 ' HG2' HD21 ' A' ' 20' ' ' LEU . 15.3 mtm -132.92 157.09 45.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.48 156.09 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.8 mt -100.32 131.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -69.35 -179.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 21.5 pttm -94.57 -42.96 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 9.8 t70 -98.83 -54.18 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -49.89 -37.39 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 52.9 50.1 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.853 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.3 tp -146.84 144.33 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 117' ' ' LEU . 23.4 t -74.22 112.44 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.4 ' C ' HD22 ' A' ' 20' ' ' LEU . 18.8 m -119.47 167.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.7 tm? -79.58 127.47 32.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.8 t0 -93.06 -44.95 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.685 ' CG ' HD12 ' A' ' 39' ' ' ILE . 7.7 pt-20 -168.27 173.0 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.438 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.8 mt-10 -140.12 117.06 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.742 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.9 mp -99.36 135.21 41.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 58' ' ' VAL . 35.6 mt-10 -115.27 152.66 32.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.05 59.34 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.742 HG11 ' HB3' ' A' ' 55' ' ' LEU . 23.2 m -116.26 176.97 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -123.1 159.01 56.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -13.91 35.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.06 -26.48 16.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.97 -31.08 12.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.19 -47.7 84.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -51.66 -25.82 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.81 -36.41 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 55' ' ' LEU . 10.3 mm-40 -81.58 15.08 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.6 mt -119.51 150.38 49.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.54 35.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -106.15 15.4 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.02 -30.74 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -121.54 146.0 44.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -133.78 157.46 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.798 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.3 m-85 -98.24 136.98 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.5 mp -148.8 135.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.11 100.08 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -97.67 138.4 35.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 13.7 t -103.88 94.96 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' HB2' HD21 ' A' ' 140' ' ' LEU . 89.7 t80 -75.35 169.26 18.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.673 ' CE ' HG21 ' A' ' 88' ' ' VAL . 50.9 tttt -112.76 106.0 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.448 ' HD2' HD13 ' A' ' 144' ' ' LEU . 2.5 t80 -98.22 100.85 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 21.3 tp60 -81.25 138.31 35.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -100.53 127.03 47.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.69 -45.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.53 -44.1 12.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.488 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 149.45 -39.44 0.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -70.87 150.45 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.673 HG21 ' CE ' ' A' ' 80' ' ' LYS . 2.5 p -140.61 124.68 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.8 p -117.23 158.29 24.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 1.4 m-85 -106.14 88.74 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 113.25 3.3 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.379 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.956 HD21 ' CG ' ' A' ' 27' ' ' PHE . 6.8 mp -79.86 125.21 29.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.1 m -124.25 152.59 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.889 ' HB2' HD13 ' A' ' 123' ' ' LEU . 13.3 t80 -93.66 115.05 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.01 101.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.75 93.73 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.43 ' HA ' ' CG1' ' A' ' 129' ' ' ILE . 4.4 t -74.35 103.36 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 82.8 p -124.94 101.26 32.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.72 125.61 12.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 130' ' ' ARG . 4.1 t -47.82 -26.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.31 20.92 5.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.4 p -100.39 160.42 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -91.63 157.04 42.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -49.04 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.6 tp10 -42.64 -25.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -92.94 -49.05 6.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 2.2 mm100 -46.17 -28.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.2 mtm -74.71 -47.36 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ttp -60.14 -36.7 78.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -85.39 -45.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -46.3 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.31 -56.95 14.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -48.14 -38.46 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.9 ttpt -54.26 -55.57 26.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.02 -63.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.406 ' HE3' HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -45.99 -51.97 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 49' ' ' VAL . 5.6 mt -47.72 -54.54 11.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.4 t -49.68 -21.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -95.75 -34.6 11.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 21' ' ' VAL . 88.1 m -69.75 -41.83 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.832 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -84.12 -4.24 58.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 57.86 46.13 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.889 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.3 mt -95.1 126.24 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -88.29 -39.39 14.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.1 mppt? -94.74 123.14 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.71 114.51 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -117.15 138.45 51.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -118.24 129.4 55.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 135' ' ' LEU . 13.8 pt -105.91 134.92 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.633 ' O ' HG23 ' A' ' 100' ' ' VAL . 27.5 ptt180 -80.56 4.86 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -172.54 129.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 29.5 p -47.57 -30.67 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.89 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.51 -37.43 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 129' ' ' ILE . 28.8 tp -59.63 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.7 p -137.4 171.3 14.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.44 -60.64 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.95 -48.49 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.463 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 60.7 t90 -58.08 -45.08 87.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 79' ' ' TYR . 11.6 tp -51.25 -67.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -49.42 -32.23 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.46 -42.58 92.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -71.08 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.448 HD13 ' HD2' ' A' ' 81' ' ' TYR . 87.0 mt -73.28 -36.33 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -84.36 43.9 3.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.3 m -144.49 115.74 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 125.09 140.27 5.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 173.55 10.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.9 m -83.02 127.72 33.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 31.5 p -89.15 119.91 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -137.81 167.68 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 p -66.02 -52.31 50.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.99 -69.17 0.46 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -111.79 80.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -88.61 109.15 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.98 44.66 3.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.6 m -103.5 171.57 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -100.76 91.47 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.5 t -155.41 146.8 22.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.8 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -109.68 169.02 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.544 ' O ' HG12 ' A' ' 12' ' ' VAL . 6.9 t -127.18 97.72 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.02 146.92 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m -130.15 151.7 50.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.633 ' HB2' HD11 ' A' ' 48' ' ' LEU . 8.2 m-20 -84.16 162.22 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.809 HG21 HG21 ' A' ' 120' ' ' THR . 7.6 m -95.3 116.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -53.26 139.01 30.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -55.25 -39.41 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.59 -29.02 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 11.0 tp -86.44 -52.16 5.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 17' ' ' ALA . 17.6 t -44.41 -54.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.6 -42.1 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.4 mttp -68.47 -43.71 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.48 -47.0 88.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -54.1 -49.25 69.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.2 mmtt -63.06 -42.36 99.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.033 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.96 -54.36 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 122' ' ' GLU . 36.4 mmm-85 -63.21 -49.1 75.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.92 32.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 8.3 ptm180 -63.89 128.36 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 19.84 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.18 -179.39 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -124.1 -28.73 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -69.74 173.84 5.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -77.88 174.79 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.541 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -161.17 159.82 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -157.19 113.89 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 mt -102.94 121.04 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.953 HD12 ' HG3' ' A' ' 53' ' ' GLU . 55.4 mt -100.29 143.46 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.463 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 12.0 mtm -137.59 152.22 49.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 163.42 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.625 HD12 ' CD1' ' A' ' 110' ' ' TYR . 6.2 mt -117.45 140.72 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -103.63 -179.51 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -76.97 -66.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.79 -40.47 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.2 tp10 -57.77 -33.72 68.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 33.09 34.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 15' ' ' ASP . 1.6 tp -143.3 134.14 25.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 117' ' ' LEU . 10.9 t -67.61 109.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 m -112.28 161.32 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.3 tm? -67.55 127.94 34.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.537 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.2 t0 -93.54 -45.53 7.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.953 ' HG3' HD12 ' A' ' 39' ' ' ILE . 3.2 pt-20 -171.35 152.44 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -115.78 111.18 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.729 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.0 mp -96.63 129.69 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 58' ' ' VAL . 24.0 mt-10 -113.86 151.66 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.94 56.34 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.729 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.4 m -112.69 173.13 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -117.39 159.89 39.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.457 ' HB3' HD11 ' A' ' 140' ' ' LEU . 53.7 Cg_endo -69.75 -13.99 35.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.741 2.294 . . . . 0.0 112.324 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -29.15 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.48 -29.68 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 75' ' ' ILE . 12.3 tp -62.58 -50.46 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.04 -38.52 88.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.07 14.23 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.478 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.4 mt -116.26 144.69 33.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.431 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.68 129.99 18.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -98.36 1.99 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -113.56 -25.57 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -129.23 148.63 69.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.554 0.692 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.76 134.38 27.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 16.3 tpp180 -139.12 156.63 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.762 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.8 m-85 -98.16 139.35 34.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -148.36 132.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 60.2 t -116.44 99.9 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -104.69 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.459 ' OG ' HD22 ' A' ' 92' ' ' LEU . 27.3 t -126.13 95.07 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 55.7 t80 -63.58 167.34 5.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.8 tttt -112.74 94.29 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.467 ' C ' HG23 ' A' ' 88' ' ' VAL . 2.0 t80 -84.81 100.59 11.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 23.3 tp60 -91.09 142.05 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -109.61 141.91 41.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ASP . 8.1 t0 -43.34 -58.59 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' ASP . 2.4 m-20 -37.61 -41.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 140.32 -31.22 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 89' ' ' SER . 1.7 tmm_? -67.39 134.85 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.467 HG23 ' C ' ' A' ' 81' ' ' TYR . 3.3 p -136.72 129.46 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.418 ' HB2' ' NH1' ' A' ' 87' ' ' ARG . 9.2 t -122.18 162.99 20.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -118.96 92.05 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.9 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.77 123.49 10.15 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.628 2.218 . . . . 0.0 112.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.033 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.57 124.04 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' HD21 ' A' ' 144' ' ' LEU . 14.2 m -127.43 159.57 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.795 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -107.03 111.17 23.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.7 mt -97.8 102.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -84.37 90.99 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.1 p -70.17 107.85 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' ARG . 3.3 t -127.69 101.58 23.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 54.0 Cg_endo -69.75 119.26 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.5 m -42.69 -32.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.72 2.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.66 160.61 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.4 ptmt -89.95 154.7 47.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -42.77 -30.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.7 mm100 -90.06 -49.62 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -40.35 -35.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.5 mtm -78.66 -35.09 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.685 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 50.6 ttp -62.21 -35.7 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.685 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 76.1 m-85 -94.86 -40.02 9.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.8 -7.6 12.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -110.83 -20.73 12.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.871 -179.766 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.549 ' HA ' HD22 ' A' ' 117' ' ' LEU . 11.5 ttpt -63.59 -54.72 31.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.2 t-20 -31.91 -56.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' ' 16' ' ' VAL . 4.9 tttt -46.91 -54.57 9.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -46.13 -56.33 5.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -45.15 -27.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -90.55 -36.22 14.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.809 HG21 HG21 ' A' ' 16' ' ' VAL . 79.0 m -63.0 -47.43 83.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.11 -2.05 50.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.411 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 15.2 mt-10 59.1 47.47 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.2 mt -95.96 137.51 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.5 p -101.65 -25.33 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.1 mppt? -105.23 120.76 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.64 113.4 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 6.8 m-85 -118.62 141.86 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -122.62 127.38 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.527 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 10.8 pt -103.69 129.42 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.431 ' HD2' ' CG ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -59.52 -30.88 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.431 ' CG ' ' HD2' ' A' ' 130' ' ' ARG . 6.2 m-20 -145.9 137.57 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.4 p -48.31 -31.27 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.26 -40.98 75.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.33 -37.55 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 18.8 tp -55.57 96.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.83 175.24 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.57 -61.54 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -50.83 -38.82 51.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.527 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 75.0 t90 -62.87 -44.92 94.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 60' ' ' PRO . 12.1 mt -53.01 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -55.21 -21.36 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.82 -42.3 63.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.17 -37.57 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.414 HD21 ' SG ' ' A' ' 93' ' ' CYS . 42.9 mt -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.1 -83.27 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.3 t -100.04 88.97 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 148' ' ' PRO . . . -94.07 -147.19 21.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 147' ' ' GLY . 53.8 Cg_endo -69.81 152.94 69.18 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.7 m -160.25 170.72 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 48.2 t -78.07 118.82 20.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.482 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 t -96.13 130.4 43.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -82.42 157.08 23.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.94 100.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 m -59.48 103.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -99.11 145.46 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.32 48.42 3.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -111.15 93.4 4.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.827 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.96 35.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -119.65 90.32 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 108' ' ' MET . 20.6 mt -101.49 152.95 20.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -115.78 106.95 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.8 t -92.54 136.73 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -108.31 175.0 5.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -108.66 148.27 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.523 HG12 HD22 ' A' ' 117' ' ' LEU . 29.4 m -80.75 126.12 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.59 136.0 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.34 -47.58 65.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -30.53 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.882 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.4 OUTLIER -81.19 -54.72 5.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 17' ' ' ALA . 24.5 t -41.74 -50.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.6 pt-20 -45.35 -43.53 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 42.0 mttt -64.45 -49.56 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 121' ' ' ALA . 82.1 mt -56.96 -44.71 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -52.99 -48.13 67.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.8 mmtt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.878 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.78 -52.66 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.66 -47.35 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -94.08 33.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.9 ptm180 -69.09 121.72 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.79 42.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.5 mm-40 -124.91 177.22 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.0 m -113.56 -42.74 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 8.0 p-80 -55.41 179.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.494 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.5 OUTLIER -89.33 -178.91 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.89 159.71 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -155.05 123.25 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.521 HD12 ' HD2' ' A' ' 27' ' ' PHE . 30.7 mt -113.43 125.11 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.844 HD12 ' HG3' ' A' ' 53' ' ' GLU . 7.8 mt -108.53 141.88 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.882 ' HG2' HD11 ' A' ' 20' ' ' LEU . 11.2 mtm -129.49 165.56 21.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.22 160.26 32.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.94 149.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 4.9 t70 -121.35 163.48 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.88 148.21 17.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 39.5 25.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' LYS . 4.0 tp10 -96.03 -34.51 11.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' O ' ' CD ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 33.99 34.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.2 tp -151.51 129.92 12.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.555 HG21 HD21 ' A' ' 117' ' ' LEU . 61.3 t -80.92 111.92 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.81 152.25 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.5 tm? -61.61 126.56 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.5 t0 -87.26 -48.79 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.844 ' HG3' HD12 ' A' ' 39' ' ' ILE . 6.1 pt-20 -171.38 159.52 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -120.51 119.66 33.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB3' HG11 ' A' ' 58' ' ' VAL . 13.5 mt -107.15 138.18 43.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 57' ' ' GLY . 5.3 mp0 -120.46 155.55 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.87 60.12 0.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 55' ' ' LEU . 15.0 m -114.77 -179.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -126.85 159.76 62.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.4 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -23.1 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.13 -31.89 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.704 HD21 HG21 ' A' ' 75' ' ' ILE . 16.6 tp -57.95 -55.63 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.733 ' HB3' HD23 ' A' ' 135' ' ' LEU . 5.2 pttp -46.48 -28.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.58 -36.04 81.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' HD23 ' A' ' 67' ' ' LEU . 7.0 mm-40 -85.25 18.86 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 66' ' ' GLU . 17.2 mt -124.35 150.82 65.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 144.53 54.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -112.29 9.51 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -119.39 -28.64 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -126.49 150.63 71.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.8 Cg_endo -69.82 135.66 30.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -137.1 156.64 48.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.778 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.2 m-85 -98.7 137.95 36.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.778 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.9 mp -148.64 140.88 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.0 t -126.95 99.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -103.2 157.84 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.4 t -129.27 94.93 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.561 ' HB2' HD21 ' A' ' 140' ' ' LEU . 46.8 t80 -64.89 170.63 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.5 tttt -116.79 95.63 5.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.411 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.7 t80 -84.51 99.68 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 17.3 tp60 -94.39 134.23 37.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -97.77 149.9 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -47.97 -59.54 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -44.36 -45.78 9.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 151.93 -39.58 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -49.09 131.61 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 81' ' ' TYR . 4.2 p -144.18 125.78 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p -127.09 158.47 36.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.526 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -111.45 92.51 16.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.925 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.1 Cg_endo -69.71 120.86 7.59 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.878 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.58 124.3 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.4 m -129.92 152.55 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.882 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.3 t80 -98.98 111.21 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.4 HD13 ' CD1' ' A' ' 135' ' ' LEU . 70.4 mt -97.83 100.99 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.8 96.07 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 t -74.84 103.03 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.1 p -122.66 101.49 39.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.684 0.754 . . . . 0.0 110.806 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.8 Cg_endo -69.81 129.23 17.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.08 -32.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 24.92 2.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.3 p -96.45 156.51 16.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -93.64 158.09 37.25 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.244 . . . . 0.0 112.372 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -42.58 -29.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 9.7 mm100 -91.5 -47.81 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 3.9 mm100 -44.33 -35.4 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.562 ' HB3' HD23 ' A' ' 11' ' ' LEU . 5.1 mtm -71.36 -41.61 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.6 ttp -61.74 -46.55 89.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 85.7 m-85 -77.68 -43.8 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -47.86 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.75 -57.53 12.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.2 m -48.04 -40.34 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 14.5 ttpt -51.17 -57.57 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.68 -61.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -48.85 -48.48 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 49' ' ' VAL . 7.0 mt -51.96 -52.29 51.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.9 t -51.07 -21.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -91.36 -36.19 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.527 ' CG2' HG13 ' A' ' 21' ' ' VAL . 26.3 m -68.69 -45.68 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.496 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -80.3 -3.4 49.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 56.42 53.62 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.882 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.6 mt -101.71 126.71 48.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -88.13 -44.54 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 127.36 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.61 118.13 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -122.25 143.95 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.65 130.02 52.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.0 pt -106.9 131.85 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 26.0 ptt-85 -67.46 -23.75 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -144.89 130.26 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 35.7 p -45.25 -33.9 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -58.47 -41.16 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -47.0 -44.7 20.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 64' ' ' LYS . 28.5 tp -53.59 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.5 p -142.13 154.1 44.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -40.48 -47.98 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -62.14 -57.92 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.459 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 22.5 t90 -49.11 -42.78 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 79' ' ' TYR . 14.2 tp -54.64 -62.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -54.99 -26.43 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -63.9 -47.4 80.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.76 -43.52 98.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.08 -36.49 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.79 -79.75 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.1 p -82.02 40.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -72.6 -131.41 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 151.26 68.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 71.0 m -48.12 103.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.9 m -83.87 100.27 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -136.99 156.51 48.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -123.28 146.12 48.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.43 -41.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 m -78.54 97.35 5.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -162.58 111.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.7 57.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.3 m -159.48 142.01 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.16 92.15 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -127.55 78.79 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -68.7 143.85 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.41 96.9 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 1.1 p -97.49 151.47 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 46.7 m -137.5 -177.81 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.454 ' HB2' HD21 ' A' ' 48' ' ' LEU . 5.3 m-20 -114.55 172.21 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG21 HG21 ' A' ' 120' ' ' THR . 27.6 m -101.59 129.04 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -67.36 137.63 56.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.39 -43.08 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.19 -23.8 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.663 HD11 ' HG2' ' A' ' 40' ' ' MET . 1.5 tt -87.26 -55.28 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.416 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.6 t -44.0 -52.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.9 pt-20 -40.5 -46.29 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 52.0 mttt -61.5 -56.21 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 121' ' ' ALA . 66.3 mt -49.69 -42.87 46.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -56.01 -45.83 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.1 mmtt -67.38 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.989 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -46.13 -53.78 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -63.38 -46.96 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.72 28.51 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.0 ptm180 -64.66 125.79 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -85.38 -5.01 59.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.41 167.95 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 m -110.02 -38.88 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -64.82 173.43 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.8 OUTLIER -78.29 179.44 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.33 160.95 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -153.04 114.28 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' OE2' ' A' ' 54' ' ' GLU . 5.4 mt -103.81 120.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.846 HD12 ' CG ' ' A' ' 53' ' ' GLU . 20.2 mt -99.83 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.663 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.6 mtm -137.02 144.26 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.809 ' HE3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -130.45 170.43 14.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.58 HG12 HG22 ' A' ' 49' ' ' VAL . 42.8 mt -127.19 132.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.19 165.45 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -89.1 -48.3 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.432 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 6.1 m-20 -64.5 -34.94 79.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 47' ' ' ARG . 44.4 mt-10 -95.47 -17.16 21.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 30.93 41.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -147.2 134.5 20.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.58 HG22 HG12 ' A' ' 42' ' ' ILE . 17.7 t -68.36 122.11 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.809 HG23 ' HE3' ' A' ' 41' ' ' LYS . 27.2 m -129.47 154.29 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.685 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.6 tm? -57.82 136.08 56.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.578 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.2 t0 -103.97 -47.1 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.846 ' CG ' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 -171.97 152.88 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' OE2' HD11 ' A' ' 38' ' ' ILE . 8.1 mt-10 -117.66 120.37 37.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.825 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.7 mt -103.26 129.11 50.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -114.32 147.93 38.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.66 54.03 8.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.825 HG11 ' HB3' ' A' ' 55' ' ' LEU . 13.1 m -111.81 174.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -119.44 158.34 49.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.899 ' HB3' HD23 ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.72 -13.54 34.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.84 -25.67 17.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.96 -29.08 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD11 HG21 ' A' ' 75' ' ' ILE . 47.1 tp -54.13 -54.5 38.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.25 -28.74 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.41 -31.15 71.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.21 -1.16 57.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 75' ' ' ILE . 32.1 mt -103.0 149.64 37.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 132.87 24.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -101.66 19.51 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -129.39 -30.83 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -127.25 149.9 70.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.2 Cg_endo -69.77 134.54 28.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 13.2 tpp180 -137.82 157.11 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.787 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.8 m-85 -98.72 138.67 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.807 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -149.03 134.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.52 100.51 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -101.9 158.99 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.3 t -134.1 95.07 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 86.8 t80 -72.44 165.31 24.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.561 ' HE2' HG21 ' A' ' 88' ' ' VAL . 58.4 tttt -109.27 106.09 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -95.61 98.62 10.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 83' ' ' HIS . 21.3 tp60 -82.66 142.9 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' A' ' 82' ' ' GLN . 91.3 m-70 -108.79 139.42 43.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.7 -55.5 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -41.0 -39.4 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.01 -28.01 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -69.47 144.25 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.561 HG21 ' HE2' ' A' ' 80' ' ' LYS . 3.3 p -143.99 129.62 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.5 p -126.54 153.13 45.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.601 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 92.33 5.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.721 0.772 . . . . 0.0 110.928 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 121.3 8.01 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.29 . . . . 0.0 112.357 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.989 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.2 mm? -77.7 126.18 30.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.4 m -128.84 153.67 47.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.737 ' HB2' HD13 ' A' ' 123' ' ' LEU . 8.7 t80 -104.18 107.94 19.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.83 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -83.74 91.44 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.51 108.23 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.4 p -127.48 100.97 25.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 102' ' ' CYS . 53.9 Cg_endo -69.71 132.46 23.46 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 130' ' ' ARG . 5.0 t -50.96 -30.23 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.59 22.72 4.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 99' ' ' PRO . 31.2 p -92.11 159.09 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.5 ptmt -95.73 154.92 39.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.59 0.709 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.19 2.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.303 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -48.16 -28.27 2.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 24.4 mm-40 -93.83 -43.96 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 7.0 mm-40 -44.37 -34.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.34 -34.2 61.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.627 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 58.4 ttp -68.5 -37.2 79.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.627 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 83.2 m-85 -88.11 -31.93 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -64.07 -67.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.94 -30.08 59.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 m -77.06 -40.85 44.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.955 0.407 . . . . 0.0 110.849 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.8 ttpt -49.52 -56.71 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.88 -65.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -44.33 -48.66 9.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.83 -55.0 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 74.6 t -49.83 -19.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -95.9 -34.63 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.461 HG21 HG21 ' A' ' 16' ' ' VAL . 97.6 m -66.46 -42.9 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -87.25 -4.61 59.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 57.86 50.67 10.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.0 mt -95.99 137.28 35.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.1 p -93.83 -50.44 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.0 mppt? -84.4 130.25 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.12 108.47 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 143' ' ' LYS . 2.6 m-85 -110.55 145.08 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -127.87 131.6 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 8.3 pt -111.32 135.38 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 100' ' ' VAL . 7.1 ppt_? -82.61 4.47 24.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.589 ' ND2' ' CZ ' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -165.6 119.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.4 p -41.08 -33.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.51 -44.74 81.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.562 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.5 t70 -47.53 -41.48 21.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -57.36 97.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.0 p -142.07 170.57 15.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.88 -62.78 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -49.82 -52.0 35.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.562 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 59.0 t90 -54.57 -38.49 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.899 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -51.5 -60.0 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -61.6 -28.48 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.67 -49.59 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.579 ' HB2' ' CE2' ' A' ' 127' ' ' PHE . 6.6 mmmt -64.06 -40.37 96.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.0 mt -66.78 -33.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -102.99 47.83 1.08 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 m -118.85 91.35 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.93 142.28 8.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 117.7 5.24 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.6 p -163.52 156.6 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.3 m -88.4 88.86 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -122.25 91.95 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t -82.67 -59.52 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.69 78.45 1.07 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.6 p -109.83 127.45 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -55.35 147.73 16.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.74 125.11 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 10' ' ' SER . 41.6 t -91.27 115.74 28.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' SER . 10.0 pt-20 32.98 35.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' SER . 19.6 m -89.24 114.34 25.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -112.5 151.05 30.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.7 t -97.57 99.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.3 t -95.68 142.95 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.3 m -123.9 -176.24 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB2' HD11 ' A' ' 48' ' ' LEU . 4.8 m-20 -107.86 170.0 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.498 ' CG1' HD12 ' A' ' 117' ' ' LEU . 28.1 m -104.87 127.47 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.11 132.82 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.62 -47.36 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -53.43 -31.92 47.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.1 OUTLIER -78.86 -56.69 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.688 HG13 ' CG2' ' A' ' 120' ' ' THR . 4.0 t -45.13 -57.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 -39.14 -36.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -72.31 -39.58 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 121' ' ' ALA . 69.9 mt -67.72 -46.11 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -52.42 -44.3 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.8 mmtp -62.18 -42.4 99.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.985 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -44.68 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.66 -44.36 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -104.25 38.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' LYS . 10.0 ptm180 -67.09 145.25 55.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -97.75 23.57 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 7.0 mm-40 -111.57 175.66 5.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -125.26 -12.19 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 2.3 p-80 -84.33 168.88 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -69.04 175.22 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -166.58 167.38 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -160.32 123.53 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.735 HG23 ' CD2' ' A' ' 51' ' ' LEU . 11.4 mt -110.11 121.21 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' HD22 ' A' ' 51' ' ' LEU . 43.7 mt -103.93 128.5 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.812 ' HG2' HD11 ' A' ' 20' ' ' LEU . 12.4 mtm -119.87 144.04 47.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.737 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.24 163.78 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.484 HD12 ' HE3' ' A' ' 109' ' ' MET . 3.4 mt -114.28 146.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -102.32 164.57 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -85.68 -24.82 26.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.2 -38.97 9.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' ARG . 83.0 mt-10 -87.43 -16.5 34.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 33.17 37.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 15' ' ' ASP . 7.3 tp -135.91 145.52 46.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 117' ' ' LEU . 21.1 t -69.76 127.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.737 HG23 ' HD3' ' A' ' 41' ' ' LYS . 14.7 m -134.94 166.98 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.735 ' CD2' HG23 ' A' ' 38' ' ' ILE . 3.2 tm? -84.35 117.32 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.45 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 t0 -78.94 -41.99 28.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.632 ' OE2' HD21 ' A' ' 55' ' ' LEU . 9.8 pt-20 -172.89 159.51 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -122.07 126.49 48.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.754 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.0 mt -109.58 140.2 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 58' ' ' VAL . 50.8 mt-10 -121.24 154.23 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 40.25 50.63 3.66 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.754 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.2 m -110.88 172.86 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.159 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.09 161.18 41.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.8 31.57 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -94.61 -25.09 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.13 -27.04 14.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 55' ' ' LEU . 20.1 tp -64.47 -49.63 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -49.8 -33.27 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.76 -34.27 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -85.74 13.13 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.493 ' CD2' HG12 ' A' ' 75' ' ' ILE . 51.5 mt -114.73 148.71 40.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 123.37 10.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -94.83 10.77 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -122.99 -32.25 3.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -121.79 147.35 48.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.722 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 133.84 26.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -141.43 157.26 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.797 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.2 m-85 -98.21 138.75 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.798 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -148.45 129.06 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.597 HG23 ' HE2' ' A' ' 40' ' ' MET . 53.8 t -113.98 99.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -92.77 144.06 25.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.603 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 35.9 t -113.03 94.95 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 81.5 t80 -80.16 170.56 16.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 44.9 tttt -115.61 115.93 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.48 ' C ' HG23 ' A' ' 88' ' ' VAL . 2.2 t80 -106.2 106.6 17.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -86.54 135.76 33.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.499 ' N ' ' CD ' ' A' ' 82' ' ' GLN . 85.0 m-70 -102.27 132.28 48.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -39.0 -53.16 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.61 -41.04 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.36 -33.45 1.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -70.55 148.59 48.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.576 HG21 ' HE2' ' A' ' 80' ' ' LYS . 2.7 p -142.19 129.46 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -121.25 154.87 35.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.8 OUTLIER -106.82 86.87 2.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.35 5.03 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.985 HD21 ' CD1' ' A' ' 27' ' ' PHE . 6.5 mp -81.62 124.67 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.411 ' SG ' HD21 ' A' ' 144' ' ' LEU . 63.7 m -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.761 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.2 t80 -111.29 104.21 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mt -93.74 100.92 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -81.33 97.99 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.5 t -80.46 98.83 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.9 p -118.32 101.18 51.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.7 Cg_endo -69.77 114.9 3.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.418 HG23 ' ND2' ' A' ' 131' ' ' ASN . 6.9 t -42.19 -25.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.7 15.89 9.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 99' ' ' PRO . 29.5 p -96.61 161.75 13.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.448 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.88 155.96 52.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.59 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.448 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.9 tp10 -44.75 -28.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' MET . 6.6 mm100 -91.62 -47.71 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 3.1 mm100 -42.73 -33.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.3 mtm -72.21 -38.95 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.658 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 51.1 ttp -64.92 -44.09 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.658 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 75.1 m-85 -80.57 -41.18 24.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -48.49 -70.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.96 -56.52 23.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -46.91 -40.5 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.0 ttpt -49.69 -63.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.21 -54.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.71 -53.57 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -47.67 -52.02 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.39 -23.24 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -94.5 -34.07 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.688 ' CG2' HG13 ' A' ' 21' ' ' VAL . 4.6 m -66.48 -40.65 89.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.626 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -90.44 -3.63 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.7 48.11 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.761 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.9 mt -93.83 147.61 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -113.85 -31.1 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -99.26 113.25 25.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.6 t -120.84 113.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.1 m-85 -121.19 142.81 49.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -122.26 138.09 54.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 135' ' ' LEU . 15.5 pt -117.29 135.86 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.455 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 17.2 ptt180 -66.95 -30.2 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -146.12 144.17 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.0 p -53.61 -32.15 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -60.95 -20.76 62.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -76.03 -35.19 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.573 ' HB2' HD13 ' A' ' 129' ' ' ILE . 13.4 tp -63.72 86.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.9 p -125.75 166.88 16.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.8 -55.75 18.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.57 -52.39 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 32.7 t90 -54.16 -38.53 65.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 79' ' ' TYR . 18.4 tp -58.26 -70.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.56 -29.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.43 -41.47 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.93 -39.25 87.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.411 HD21 ' SG ' ' A' ' 93' ' ' CYS . 65.1 mt -66.7 -36.4 82.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -116.41 54.79 0.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.2 t -101.48 40.55 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.58 142.47 13.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.14 2.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.8 m -41.68 127.2 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.7 p -99.29 103.46 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.441 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -170.1 146.57 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -67.41 176.65 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.85 141.87 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -161.32 147.89 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -110.74 97.26 6.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.04 65.99 1.87 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t -87.17 91.35 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -169.75 110.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t 65.09 44.09 3.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.88 157.54 34.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -98.67 104.46 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.3 t -96.75 123.88 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 100.0 m -96.08 173.4 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 3.1 m-20 -103.11 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG12 HD22 ' A' ' 117' ' ' LEU . 34.3 m -97.2 126.03 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.764 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -69.38 127.09 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.21 -39.7 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -34.75 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tp -81.88 -51.43 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 HG21 ' A' ' 120' ' ' THR . 39.1 t -45.34 -55.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 7.7 pt-20 -42.39 -42.14 3.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 25.4 mttp -68.46 -45.93 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 121' ' ' ALA . 67.3 mt -59.93 -45.62 92.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 37.2 mtm180 -54.59 -42.57 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 29.4 mmtt -64.21 -37.38 87.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 1.025 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -51.26 -42.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -74.39 -35.38 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.0 m-85 -109.17 37.51 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -86.96 150.17 24.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -114.68 44.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.0 mm-40 -116.5 126.4 53.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.6 m -65.57 -47.98 73.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 9.1 p-80 -56.56 174.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.474 ' H ' HD21 ' A' ' 35' ' ' ASN . 0.5 OUTLIER -89.31 -177.61 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.49 165.91 16.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.61 128.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.498 HD12 ' HD2' ' A' ' 27' ' ' PHE . 12.9 mt -113.68 115.25 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 22.3 mt -99.86 148.26 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.431 ' CE ' HG23 ' A' ' 76' ' ' VAL . 15.1 mtm -139.14 161.71 36.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HE2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -157.3 169.6 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.527 HD12 ' HE3' ' A' ' 109' ' ' MET . 15.4 mt -118.36 136.3 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -80.66 -175.42 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -26.03 14.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -112.55 -37.82 4.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' LEU . 61.2 mm-40 -69.39 -19.24 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.5 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.46 35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.764 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.6 tp -133.89 142.55 47.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 t -76.44 118.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.7 m -124.68 157.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 52' ' ' ASP . 1.4 tm? -73.13 123.64 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.591 ' N ' HD22 ' A' ' 51' ' ' LEU . 11.7 t0 -83.71 -46.18 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.529 ' OE1' HD21 ' A' ' 55' ' ' LEU . 6.6 pt-20 -166.5 162.09 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.08 115.55 22.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' HB3' HG11 ' A' ' 58' ' ' VAL . 24.8 mt -96.1 145.77 25.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.04 153.1 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.12 52.96 6.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.583 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.2 m -113.65 175.17 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -124.23 161.64 46.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HB3' HD22 ' A' ' 140' ' ' LEU . 53.9 Cg_endo -69.75 -17.68 37.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' HG22 ' A' ' 136' ' ' THR . 4.1 m-20 -95.23 -21.7 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -97.37 -34.35 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.471 HD13 HD12 ' A' ' 55' ' ' LEU . 11.4 tp -58.49 -50.83 72.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -47.2 -26.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -68.27 -38.8 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -81.52 15.43 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 75' ' ' ILE . 55.0 mt -120.01 151.76 53.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.24 56.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.264 . . . . 0.0 112.36 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -114.29 9.08 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 16.8 mtm105 -125.47 -25.61 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -124.93 145.26 49.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.73 135.1 29.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -142.57 157.43 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.859 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.7 m-85 -97.93 139.06 34.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.859 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.43 125.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.431 HG23 ' CE ' ' A' ' 40' ' ' MET . 51.1 t -113.06 99.64 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -95.48 150.75 19.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.607 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 43.4 t -117.34 94.99 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 93.0 t80 -75.21 169.3 18.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 52.3 tttt -114.5 105.37 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -100.02 104.17 15.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.439 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 20.7 tp60 -84.27 140.54 31.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -101.84 131.53 48.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -43.07 -45.71 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 86' ' ' GLY . 0.5 OUTLIER -44.5 -45.7 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 149.44 -34.12 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -75.86 149.05 37.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.472 ' N ' ' HD3' ' A' ' 87' ' ' ARG . 2.0 p -138.78 128.36 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 25.6 m -120.15 156.62 30.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 1.3 m-30 -105.43 90.37 3.94 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.67 0.747 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 89' ' ' SER . 53.5 Cg_endo -69.78 120.29 7.1 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.025 HD21 ' CD1' ' A' ' 27' ' ' PHE . 6.3 mp -88.8 128.28 35.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -124.09 166.26 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 11.1 t80 -107.4 107.51 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 mt -96.92 101.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -80.48 91.77 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.4 t -72.17 96.64 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.4 p -118.24 101.4 51.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.8 115.43 4.09 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.465 HG23 HD22 ' A' ' 131' ' ' ASN . 13.8 t -39.56 -27.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -78.97 17.65 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -95.71 161.92 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -92.1 156.18 42.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.707 . . . . 0.0 110.87 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -49.32 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -42.68 -26.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -92.63 -49.69 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.0 mm100 -42.9 -34.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.98 -39.11 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.652 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 29.7 ttp -62.61 -41.37 98.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.652 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 65.0 m-85 -84.96 -44.2 13.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -42.68 -70.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.17 -57.8 6.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 p -48.86 -41.21 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ttpp -50.29 -62.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -34.57 -56.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.425 ' HE2' HG22 ' A' ' 16' ' ' VAL . 6.6 tttt -53.86 -50.21 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.637 HD22 HG12 ' A' ' 16' ' ' VAL . 5.5 mt -48.77 -49.42 38.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.405 HG21 HG21 ' A' ' 126' ' ' VAL . 47.7 t -54.71 -20.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -93.39 -33.34 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.527 HG21 HG22 ' A' ' 21' ' ' VAL . 27.6 m -70.96 -45.65 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -79.96 -3.39 48.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 43.46 20.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.8 mt -93.9 135.75 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.5 p -98.65 -35.11 10.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -93.12 121.65 34.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.419 HG11 ' NZ ' ' A' ' 114' ' ' LYS . 60.4 t -130.84 114.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 2.8 m-85 -120.97 152.82 38.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -129.25 140.56 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.531 HD13 ' HB2' ' A' ' 135' ' ' LEU . 18.0 pt -116.71 133.47 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.493 ' O ' ' ND2' ' A' ' 131' ' ' ASN . 16.9 ptt180 -66.2 -29.72 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 130' ' ' ARG . 2.4 m120 -149.22 134.27 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.2 p -42.27 -30.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.77 -43.48 80.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.597 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.43 -39.13 69.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.531 ' HB2' HD13 ' A' ' 129' ' ' ILE . 54.2 tp -55.9 86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' ASP . 80.3 p -132.32 170.6 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -58.8 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -51.12 -46.21 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.597 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 36.8 t90 -61.63 -44.27 97.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 79' ' ' TYR . 12.0 tp -54.66 -65.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -48.42 -32.42 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.36 -49.0 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.96 -38.35 90.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.7 mt -74.02 -29.8 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -104.1 48.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.4 m -107.38 42.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 116.48 141.31 7.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 149' ' ' SER . 53.4 Cg_endo -69.77 4.58 2.11 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 148' ' ' PRO . 1.2 t -36.36 121.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 75.7 m -79.3 108.93 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 t -162.89 158.68 22.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -161.33 153.16 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.23 71.16 0.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -58.4 -53.09 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -48.29 161.38 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.08 -92.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 t 42.01 43.03 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -135.08 119.49 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.0 m -100.48 127.75 46.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.17 161.07 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -107.18 98.9 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -86.82 127.71 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.1 m -103.22 -178.29 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.453 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.4 m-20 -109.23 157.97 18.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.605 HG22 ' HE2' ' A' ' 116' ' ' LYS . 33.8 m -95.44 116.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.844 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -62.82 124.26 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -45.06 -45.78 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -38.49 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.638 ' CD2' HG12 ' A' ' 49' ' ' VAL . 11.8 tp -79.64 -53.53 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG12 ' HE ' ' A' ' 25' ' ' ARG . 93.1 t -39.41 -60.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' VAL . 5.9 pt-20 -37.34 -38.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -66.95 -43.16 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 21' ' ' VAL . 77.6 mt -63.55 -44.61 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HE ' HG12 ' A' ' 21' ' ' VAL . 29.9 mtt180 -51.59 -49.58 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.7 mmtt -62.11 -36.71 82.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.863 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.86 -46.83 68.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.45 -43.25 70.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.23 37.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -80.73 141.18 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -107.79 41.49 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 9.6 mm-40 -115.78 132.47 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -69.1 -46.21 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 15.3 p-80 -58.02 175.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -88.21 -176.67 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -165.63 163.14 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -156.32 121.38 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' HD2' ' A' ' 27' ' ' PHE . 17.9 mt -110.79 119.22 59.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.944 HD12 ' CG ' ' A' ' 53' ' ' GLU . 21.8 mt -97.87 140.53 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 12.0 mtm -134.46 142.46 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB3' ' NE ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -133.2 163.74 28.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -108.03 130.32 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -77.28 -175.14 3.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.494 ' HD3' ' N ' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -111.72 -40.35 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.494 ' N ' ' HD3' ' A' ' 44' ' ' LYS . 41.4 m-20 -63.92 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 11.9 mp0 -95.2 -6.35 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER 39.85 54.85 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.844 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.9 tp -120.85 140.14 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.638 HG12 ' CD2' ' A' ' 20' ' ' LEU . 39.7 t -68.23 113.22 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.1 m -121.89 159.34 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.778 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.2 tm? -64.14 125.75 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.521 ' N ' HD13 ' A' ' 51' ' ' LEU . 7.2 t0 -93.44 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.944 ' CG ' HD12 ' A' ' 39' ' ' ILE . 7.0 pt-20 -174.43 160.0 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.53 122.07 37.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD21 ' OE1' ' A' ' 53' ' ' GLU . 21.7 mt -106.54 149.18 27.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -134.1 148.12 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.21 56.07 5.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG11 ' HB3' ' A' ' 55' ' ' LEU . 17.3 m -113.62 -179.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -124.04 158.98 58.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HB3' HD22 ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.71 -16.65 37.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.39 -23.4 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -94.56 -27.97 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.5 HD21 HG21 ' A' ' 75' ' ' ILE . 24.3 tp -61.43 -48.82 79.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.85 ' HB3' HD23 ' A' ' 135' ' ' LEU . 6.4 pttt -51.71 -33.45 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.55 -32.1 73.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.42 13.21 14.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 75' ' ' ILE . 81.1 mt -114.96 152.46 46.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.09 15.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.64 15.86 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' NH1' ' HB2' ' A' ' 70' ' ' ARG . 19.1 mtm105 -126.21 -30.81 2.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -125.91 145.68 52.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.582 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' NE ' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -129.2 158.86 37.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.809 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.1 m-85 -99.45 139.27 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.809 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -148.86 137.95 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.407 HG23 ' HE2' ' A' ' 40' ' ' MET . 92.7 t -119.31 101.43 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -100.17 160.18 14.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -133.49 95.07 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB2' HD21 ' A' ' 140' ' ' LEU . 79.7 t80 -72.89 169.07 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.7 tttt -111.21 107.86 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.618 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.9 t80 -96.0 104.18 16.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 7.4 tm0? -88.07 136.04 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 70.5 m80 -105.02 131.28 52.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -38.76 -51.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -41.69 3.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.51 -36.12 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 89' ' ' SER . 1.9 tmm_? -68.16 145.3 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 81' ' ' TYR . 5.1 p -144.33 134.95 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.426 ' HB2' ' NH1' ' A' ' 87' ' ' ARG . 9.2 t -129.21 162.85 26.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -112.72 92.51 20.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.76 . . . . 0.0 110.948 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.6 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.863 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.8 mm? -77.75 124.42 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . 0.602 ' SG ' HD21 ' A' ' 144' ' ' LEU . 84.8 m -124.07 155.29 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.908 ' HB2' HD13 ' A' ' 123' ' ' LEU . 33.9 t80 -105.31 110.22 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.658 HG21 HD13 ' A' ' 135' ' ' LEU . 39.7 mt -100.68 105.52 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -85.11 90.18 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -67.96 100.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.7 p -121.54 101.69 43.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 123.54 10.23 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 130' ' ' ARG . 27.5 m -45.14 -31.61 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.26 26.3 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.53 161.82 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -95.51 159.46 32.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 108' ' ' MET . 54.0 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -43.06 -30.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -91.26 -47.52 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.5 mm100 -44.47 -37.6 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 0.9 OUTLIER -68.02 -51.66 44.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.7 ttp -56.63 -49.02 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 82.2 m-85 -71.78 -40.66 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.04 -55.38 28.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 m -50.13 -41.74 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 18.6 ttpt -49.68 -57.93 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -36.84 -62.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.605 ' HE2' HG22 ' A' ' 16' ' ' VAL . 15.7 tttt -43.48 -48.97 7.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 49' ' ' VAL . 6.5 mt -50.89 -54.38 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.08 -18.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -95.85 -34.58 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.457 HG21 HG22 ' A' ' 21' ' ' VAL . 39.3 m -69.6 -46.54 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.27 -11.37 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 62.01 52.58 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.908 HD13 ' HB2' ' A' ' 94' ' ' PHE . 14.2 mt -91.86 162.58 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.0 p -125.75 -18.45 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -125.34 87.6 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.4 p -106.42 102.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 4.9 m-85 -95.65 165.08 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.29 132.81 30.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 pt -113.77 135.9 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.825 ' O ' HG13 ' A' ' 100' ' ' VAL . 4.6 ptt-85 -83.18 6.14 20.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -169.37 128.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.5 p -50.25 -33.91 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.84 -40.82 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -53.43 -37.78 62.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.85 HD23 ' HB3' ' A' ' 64' ' ' LYS . 16.5 tp -57.18 95.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.9 p -140.21 165.19 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -50.51 -55.72 14.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.07 -49.01 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TRP . . . . . 0.473 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 48.8 t90 -54.13 -47.54 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 79' ' ' TYR . 10.1 tp -49.42 -59.69 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -58.76 -28.81 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.75 -45.32 93.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.602 HD21 ' SG ' ' A' ' 93' ' ' CYS . 69.4 mt -70.6 -35.71 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -126.36 69.44 0.51 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.7 t -101.58 49.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.43 142.55 7.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 117.54 5.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.305 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 52.2 p -110.2 159.43 17.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 63.7 m -59.17 102.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.816 0.341 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.4 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.1 m-20 -109.84 162.88 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.515 HG21 ' OG1' ' A' ' 120' ' ' THR . 8.5 m -92.41 126.62 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -68.89 134.03 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.11 -36.6 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -29.23 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 40' ' ' MET . 4.1 tp -92.26 -50.4 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 120' ' ' THR . 21.2 t -43.65 -53.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 5.0 pt-20 -43.11 -45.44 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.463 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 27.3 mttp -62.66 -47.8 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' A' ' 121' ' ' ALA . 81.4 mt -57.04 -47.22 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -53.58 -47.7 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' ARG . 28.9 mmtt -63.51 -40.12 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.965 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.56 -55.54 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -62.59 -46.45 88.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.799 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -93.79 32.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.634 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 9.5 ptm180 -67.09 136.33 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.79 21.28 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.48 176.55 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.1 m -115.02 -37.19 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -68.22 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 4.9 m120 -85.04 -179.99 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -162.2 159.89 26.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.87 119.62 6.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.86 119.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.938 HD12 ' HG3' ' A' ' 53' ' ' GLU . 22.3 mt -100.22 149.26 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.465 ' HG2' HD13 ' A' ' 20' ' ' LEU . 14.2 mtm -140.38 151.59 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -144.82 163.2 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.03 139.83 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' A' ' 17' ' ' ALA . 4.8 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.814 0.34 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG21 HD21 ' A' ' 117' ' ' LEU . 17.3 t -67.99 118.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.06 164.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.771 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.9 tm? -68.8 126.3 29.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.472 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.6 t0 -91.93 -45.11 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.938 ' HG3' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 -175.14 159.06 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.95 125.05 42.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.645 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.1 mp -104.96 154.08 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -134.18 144.29 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.18 53.96 5.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.645 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.5 m -110.84 173.43 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -116.89 158.87 42.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.748 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.888 ' HB3' HD23 ' A' ' 140' ' ' LEU . 53.8 Cg_endo -69.75 -13.89 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.389 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.86 -26.05 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.62 -27.98 15.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 75' ' ' ILE . 22.9 tp -58.79 -51.62 69.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -47.34 -29.86 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.04 -39.09 93.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.38 12.29 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD2' HG12 ' A' ' 75' ' ' ILE . 17.5 mt -116.76 150.33 45.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.58 45.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.25 18.3 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 -131.06 -36.42 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -118.98 148.14 44.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.81 132.68 23.76 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 14.5 tpp180 -135.45 157.85 45.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.86 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.2 m-85 -97.98 139.12 34.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.86 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -149.47 125.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.1 t -108.57 99.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 83.4 t80 -101.77 158.44 16.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -132.08 95.26 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 79.1 t80 -68.53 168.46 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.0 tttt -114.79 99.4 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.5 t80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -106.83 93.04 8.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.919 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.8 Cg_endo -69.69 121.66 8.36 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.965 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.1 mm? -77.73 126.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.479 ' SG ' HD21 ' A' ' 144' ' ' LEU . 3.2 m -131.8 154.59 48.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.867 ' HB2' HD13 ' A' ' 123' ' ' LEU . 5.2 t80 -105.23 115.49 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 135' ' ' LEU . 35.9 mt -102.28 101.98 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -78.61 88.74 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.03 101.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 89.1 p -124.25 101.32 34.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.7 Cg_endo -69.83 128.61 16.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 130' ' ' ARG . 3.5 t -50.73 -26.09 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.46 20.73 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.7 p -99.62 159.62 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.444 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 pttt -92.33 156.59 41.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -42.9 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.294 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 2.9 tp10 -48.14 -26.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -93.78 -41.21 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 1.6 mm100 -50.8 -37.23 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.4 mtm -63.26 -40.87 98.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.535 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 63.4 ttp -64.95 -56.82 10.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.9 m-85 -66.06 -33.13 75.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -61.4 -63.96 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.68 -33.19 84.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.9 m -71.57 -40.42 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.973 0.416 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.5 ttpt -49.65 -60.66 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.7 -62.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -45.7 -51.2 12.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 74' ' ' PHE . 7.0 mt -48.9 -55.85 10.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.6 -23.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -89.1 -35.72 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.643 HG23 HG13 ' A' ' 21' ' ' VAL . 2.8 m -67.74 -49.94 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.598 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -79.59 -4.84 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.89 46.29 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.867 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.1 mt -90.68 132.91 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.0 p -91.88 -41.39 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 1.9 mppt? -93.48 127.34 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.4 t -133.0 106.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -112.45 152.98 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -129.94 141.9 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 5.6 pt -119.25 136.55 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 100' ' ' VAL . 34.3 ptt180 -76.71 -10.08 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -156.83 131.47 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.4 p -50.23 -31.32 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -41.36 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.06 -40.64 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 95' ' ' ILE . 59.7 tp -58.43 95.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.2 p -138.77 174.12 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -54.77 -58.98 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 138' ' ' GLU . 1.4 tm-20 -52.38 -57.38 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 21.6 t90 -51.7 -29.49 18.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.888 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -61.94 -62.58 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -58.76 -20.47 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -66.43 -44.77 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -67.96 -41.27 82.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.479 HD21 ' SG ' ' A' ' 93' ' ' CYS . 54.1 mt -69.03 -28.13 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.49 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.6 m-20 -107.88 163.4 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.56 HG21 ' OG1' ' A' ' 120' ' ' THR . 13.7 m -98.29 118.92 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.612 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -60.16 133.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -52.59 -41.48 63.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -54.39 -41.42 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 51' ' ' LEU . 1.7 tp -75.68 -50.17 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.632 HG22 HG21 ' A' ' 120' ' ' THR . 85.8 t -43.14 -61.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.33 -36.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 1.008 ' HD2' HD23 ' A' ' 51' ' ' LEU . 17.0 mttp -73.36 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 21' ' ' VAL . 59.4 mt -77.5 -48.49 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' CD ' HG12 ' A' ' 21' ' ' VAL . 14.6 mtp85 -49.85 -45.92 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' ARG . 20.4 mmtt -61.84 -39.94 93.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -54.73 6.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -64.8 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 1.8 m-85 -87.99 23.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.2 ptm85 -69.75 150.22 47.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -124.26 38.79 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.01 180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -115.61 -37.53 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -66.36 -177.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.19 172.78 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.69 157.74 34.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.714 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.88 118.44 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.733 HG23 HD13 ' A' ' 51' ' ' LEU . 6.2 mt -109.08 115.2 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 51' ' ' LEU . 15.0 mt -97.43 139.64 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.0 mtm -127.39 158.37 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 151.61 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 49' ' ' VAL . 10.4 mt -102.77 131.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 ' HB2' ' A' ' 17' ' ' ALA . 7.7 tp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.866 0.365 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 42' ' ' ILE . 42.3 t -93.07 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.7 m -118.51 161.45 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.008 HD23 ' HD2' ' A' ' 23' ' ' LYS . 4.6 tp -80.75 121.09 25.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.592 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.5 t0 -72.47 -54.25 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -166.86 146.48 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.823 ' HG3' HD21 ' A' ' 51' ' ' LEU . 4.6 mt-10 -95.46 133.74 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.783 ' HB3' HG11 ' A' ' 58' ' ' VAL . 50.1 mt -115.01 107.54 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -99.53 154.95 17.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.35 58.76 4.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.783 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.0 m -120.23 177.72 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -123.48 159.23 56.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HB3' HD22 ' A' ' 140' ' ' LEU . 53.9 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.37 -22.7 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -97.36 -33.39 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.91 -46.38 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -54.2 -26.58 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.5 -34.19 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -83.74 14.95 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 75' ' ' ILE . 44.0 mt -119.2 150.33 48.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.0 46.84 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.48 8.75 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -120.45 -18.66 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -136.58 149.78 68.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 135.65 30.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.319 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -142.13 155.51 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.859 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.0 m-85 -98.65 138.46 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.859 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.39 125.67 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.414 ' CG1' HD21 ' A' ' 123' ' ' LEU . 94.8 t -107.94 99.74 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -99.06 159.88 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.0 t -132.29 95.14 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.508 ' HB2' HD21 ' A' ' 140' ' ' LEU . 66.1 t80 -70.24 161.13 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -103.03 101.16 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.906 0.384 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -106.28 90.3 4.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.3 Cg_endo -69.75 122.09 8.77 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.02 HD11 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -77.76 128.9 34.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.09 154.83 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.851 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.1 t80 -104.61 107.81 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mt -93.39 101.79 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.55 ' CZ ' ' OG ' ' A' ' 98' ' ' SER . 5.4 t80 -79.26 89.52 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.3 t -71.37 99.74 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.55 ' OG ' ' CZ ' ' A' ' 96' ' ' PHE . 3.7 m -120.24 101.16 47.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.8 Cg_endo -69.74 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 t -40.99 -27.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -80.52 20.74 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -96.53 161.42 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.9 ptmt -91.35 155.67 44.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.4 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.9 -28.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.418 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 10.6 mm100 -93.22 -46.65 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.3 mm100 -44.1 -34.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.6 mtm -69.2 -45.18 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.514 ' HE3' HD12 ' A' ' 42' ' ' ILE . 31.5 ttp -59.84 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -73.49 -39.03 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.27 -69.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.58 65.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 43.0 m -51.92 -38.74 57.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.2 ttpp -51.85 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.0 t-20 -34.35 -50.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.539 ' HE2' HG22 ' A' ' 16' ' ' VAL . 5.3 tttt -54.72 -53.82 49.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.599 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -47.67 -52.93 16.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.414 HG21 HG21 ' A' ' 126' ' ' VAL . 56.1 t -46.69 -23.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -91.81 -35.11 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.632 HG21 HG22 ' A' ' 21' ' ' VAL . 19.4 m -69.78 -42.69 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.49 -1.97 54.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 58.74 44.43 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' A' ' 94' ' ' PHE . 14.5 mt -89.73 138.01 31.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -95.88 -46.73 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -93.79 138.14 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 94' ' ' PHE . 38.6 t -139.07 110.56 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.2 m-85 -113.44 152.69 29.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -128.67 143.33 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 3.8 pt -124.17 134.2 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -65.01 -27.26 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -147.41 143.79 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.8 p -56.04 -21.66 23.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.68 -40.2 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' THR . 1.4 m-20 -56.79 -38.04 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 7.4 tp -56.34 84.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' ASP . 62.4 p -128.33 164.92 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -49.98 -54.85 17.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -53.63 -48.96 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.458 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 31.6 t90 -59.46 -35.62 74.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 79' ' ' TYR . 10.9 tp -58.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -54.99 -20.86 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.8 -41.64 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.9 mmmt -71.03 -37.04 72.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.48 -37.0 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.702 ' N ' ' HG ' ' A' ' 113' ' ' SER . 84.5 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.792 0.329 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.15 158.61 19.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG12 HD22 ' A' ' 117' ' ' LEU . 25.7 m -90.15 128.7 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.86 131.47 45.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.83 -36.9 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -36.33 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -81.72 -52.74 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 17' ' ' ALA . 55.1 t -38.74 -54.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.69 -39.94 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 23.4 mttp -64.59 -50.72 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.66 HD13 ' HB2' ' A' ' 121' ' ' ALA . 87.0 mt -59.17 -40.13 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -54.24 -47.01 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.8 mmtt -64.4 -41.69 96.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.911 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.88 -53.63 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -61.79 -48.96 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -94.94 35.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.558 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 8.6 ptm180 -69.75 124.96 25.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -89.76 25.29 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -106.47 170.77 7.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.499 HG23 ' OH ' ' A' ' 90' ' ' TYR . 98.9 m -108.94 -43.16 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -55.88 179.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -89.29 176.89 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.558 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -160.23 160.61 32.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -155.88 114.03 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 mt -104.27 117.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 53' ' ' GLU . 12.8 mt -98.09 141.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.0 mtm -132.96 144.72 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 160.22 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mt -116.69 129.18 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.853 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.428 HD23 ' HB2' ' A' ' 17' ' ' ALA . 2.6 tp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 117' ' ' LEU . 25.7 t -71.56 112.83 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.41 164.77 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.796 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.9 tm? -70.1 122.47 19.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' HD13 ' A' ' 51' ' ' LEU . 9.6 t0 -88.21 -44.75 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.876 ' HG3' HD12 ' A' ' 39' ' ' ILE . 9.5 pt-20 -176.07 149.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -111.01 123.34 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HB3' HG11 ' A' ' 58' ' ' VAL . 32.9 mt -108.22 144.41 35.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 58' ' ' VAL . 69.2 mt-10 -128.61 152.05 48.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.6 57.3 1.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.52 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.8 m -114.48 176.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.16 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -123.03 160.84 47.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.62 36.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -93.26 -30.81 14.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -93.83 -25.26 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 55' ' ' LEU . 12.1 tp -66.5 -53.62 32.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.6 pttp -48.87 -32.4 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.01 -33.18 74.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.95 17.57 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 64' ' ' LYS . 17.1 mt -122.97 152.0 62.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 132.07 22.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -101.89 21.32 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -128.83 -32.22 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -124.87 150.93 67.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.79 132.31 23.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -133.54 156.76 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.779 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.0 m-85 -99.2 135.99 39.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.779 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.9 mp -148.84 130.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.7 t -110.35 99.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -100.34 158.84 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 t -132.98 95.05 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.9 t80 -67.48 170.61 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 61.3 tttt -114.38 104.31 11.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.983 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.894 0.378 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -116.31 93.54 39.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.709 0.766 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.78 120.7 7.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.911 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.6 mm? -77.61 124.22 27.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.3 m -129.01 158.8 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.693 ' HB2' HD13 ' A' ' 123' ' ' LEU . 14.6 t80 -103.78 109.24 20.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.403 HD13 HD13 ' A' ' 135' ' ' LEU . 72.0 mt -96.11 101.27 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.69 91.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 94.1 p -75.15 97.53 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.41 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 23.1 t -120.27 101.23 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.694 0.759 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.7 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 t -50.05 -24.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.3 21.66 4.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.0 p -103.89 160.27 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 156.07 58.94 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.62 -29.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -92.28 -45.89 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -42.54 -34.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.28 -46.02 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.3 ttp -58.62 -36.14 73.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.459 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 71.7 m-85 -87.59 -40.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.61 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.52 52.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.702 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 40.7 m -52.11 -38.54 57.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.904 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.501 ' NZ ' HG11 ' A' ' 126' ' ' VAL . 13.3 ttpp -51.32 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.8 t-20 -34.88 -62.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -45.01 -48.79 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.494 HD21 HG21 ' A' ' 49' ' ' VAL . 8.0 mt -52.69 -55.76 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.22 -25.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -88.18 -34.99 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.0 m -68.48 -55.24 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -70.93 -4.0 22.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 58.68 45.78 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 94' ' ' PHE . 8.8 mt -93.28 128.61 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.1 p -88.45 -46.19 9.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -90.66 127.01 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.501 HG11 ' NZ ' ' A' ' 114' ' ' LYS . 61.9 t -128.86 111.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 5.4 m-85 -114.56 145.91 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 141.25 52.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 11.2 pt -118.85 133.49 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 9.5 ptt-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 10.2 m-20 -147.78 137.4 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.5 p -48.15 -27.8 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.7 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.84 -35.47 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 45.3 tp -59.67 94.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.1 p -139.6 165.87 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.43 -61.1 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -49.34 -40.25 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.57 -45.17 95.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.59 -62.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -53.42 -22.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.36 -47.96 58.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -64.28 -43.27 95.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -39.34 88.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' N ' ' HG ' ' A' ' 113' ' ' SER . 3.5 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.491 ' CB ' HD11 ' A' ' 48' ' ' LEU . 5.6 m-20 -106.01 158.9 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 117' ' ' LEU . 27.8 m -85.98 128.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -63.14 141.23 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.22 -25.56 67.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.5 OUTLIER -83.17 -55.07 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.4 t -40.1 -59.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.1 pt-20 -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 mttp -64.67 -38.55 91.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' VAL . 80.5 mt -70.9 -44.11 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -53.05 -47.73 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.1 mmtp -60.13 -37.97 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.901 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -50.33 -48.27 55.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.59 -44.41 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.47 35.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -79.36 141.8 36.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -109.33 36.41 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.4 mm-40 -109.1 141.39 41.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -78.97 -41.37 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.2 p-80 -63.35 176.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.42 -179.94 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.41 160.55 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.739 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -153.45 123.19 6.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.734 HG23 HD23 ' A' ' 51' ' ' LEU . 10.8 mt -114.27 119.5 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HD22 ' A' ' 51' ' ' LEU . 30.1 mt -101.33 126.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.886 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.3 mtm -114.81 147.35 39.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -147.26 156.29 42.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.8 mt -106.45 144.72 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 t70 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.491 HD11 ' CB ' ' A' ' 15' ' ' ASP . 10.2 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.881 0.372 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 117' ' ' LEU . 11.7 t -68.66 139.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.621 HG23 ' HD3' ' A' ' 41' ' ' LYS . 31.1 m -145.42 164.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.734 HD23 HG23 ' A' ' 38' ' ' ILE . 2.8 tm? -85.63 118.75 25.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.489 ' CB ' ' HE2' ' A' ' 41' ' ' LYS . 15.5 t0 -77.72 -44.4 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -168.12 160.71 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -123.28 125.76 45.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.739 HD12 ' HB3' ' A' ' 37' ' ' ALA . 7.7 mt -106.19 150.23 26.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -130.34 145.86 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.7 51.58 10.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.659 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.1 m -106.73 177.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -124.17 161.42 47.42 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.645 0.736 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.675 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.71 -17.38 37.84 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.86 -28.91 18.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -95.41 -23.94 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.05 -49.1 77.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.39 -31.82 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.82 -29.13 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -91.45 14.61 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 75' ' ' ILE . 30.1 mt -119.65 149.55 48.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.548 0.69 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.14 39.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.95 20.36 18.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 -33.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -123.31 149.49 57.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 134.61 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -139.32 158.89 43.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.71 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.8 m-85 -98.45 138.97 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.71 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.2 mp -147.85 128.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.597 HG23 ' HE2' ' A' ' 40' ' ' MET . 53.5 t -112.46 99.94 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -104.61 152.98 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.472 ' OG ' HD22 ' A' ' 92' ' ' LEU . 20.3 t -122.99 94.93 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.443 ' HB2' HD13 ' A' ' 140' ' ' LEU . 64.3 t80 -67.54 162.59 23.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.5 tttt -107.63 98.71 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.427 ' HD2' HD13 ' A' ' 144' ' ' LEU . 1.6 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.2 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.817 0.341 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -105.71 90.21 4.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.688 0.756 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.5 Cg_endo -69.81 124.92 11.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.901 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.7 mm? -77.5 127.35 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 m -129.4 159.81 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.641 ' HB2' HD13 ' A' ' 123' ' ' LEU . 3.9 t80 -109.5 110.06 21.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.17 103.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -83.7 89.81 7.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 t -70.96 106.32 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -128.4 101.29 21.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.7 Cg_endo -69.76 115.38 4.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 100' ' ' VAL . 4.2 t -44.1 -23.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.85 15.82 9.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.2 p -99.8 161.79 13.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.44 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.2 155.41 54.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.76 3.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 4.6 tp10 -48.08 -27.21 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.7 mm-40 -92.84 -46.22 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -37.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 mtm -71.54 -34.98 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.6 ' HE2' ' CE1' ' A' ' 110' ' ' TYR . 54.7 ttp -64.23 -35.31 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.6 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 79.4 m-85 -92.69 -32.56 14.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.5 -65.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.45 -49.43 64.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.467 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 5.7 m -58.43 -40.84 83.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.84 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 12.6 ttpt -48.77 -59.97 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.4 -65.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -44.1 -48.71 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 49' ' ' VAL . 6.1 mt -50.66 -54.89 19.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.61 -19.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -96.09 -30.75 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 -47.97 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.54 -7.41 56.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 62.27 45.79 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.2 mt -95.11 132.86 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.2 p -92.44 -38.94 11.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.23 128.61 39.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.78 108.51 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 3.5 m-85 -114.45 151.06 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -129.39 140.31 51.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.97 137.92 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.542 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 18.2 ptt180 -70.62 -29.86 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.542 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 3.6 m-20 -144.8 139.73 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.6 p -49.62 -27.63 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.1 -33.25 75.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.81 -37.73 77.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.8 tt -55.23 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.75 165.45 27.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.53 -59.05 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.88 -39.29 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.22 -42.2 99.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 79' ' ' TYR . 11.9 mt -55.78 -62.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -52.43 -27.73 17.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.35 -46.32 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.96 -43.07 88.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.427 HD13 ' HD2' ' A' ' 81' ' ' TYR . 72.7 mt -63.56 -39.11 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.675 ' HB2' HD11 ' A' ' 48' ' ' LEU . 8.4 m-20 -94.93 172.46 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG1' HD22 ' A' ' 117' ' ' LEU . 23.9 m -98.3 124.11 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.436 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -61.85 134.02 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -49.05 -45.35 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -27.21 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.9 OUTLIER -83.94 -54.01 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.558 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.4 t -45.94 -58.91 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 5.7 pt-20 -38.55 -40.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.5 mttp -63.98 -53.16 54.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 121' ' ' ALA . 92.8 mt -57.23 -38.23 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -55.55 -44.91 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.0 mmtp -67.96 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.89 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.69 -53.32 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 28' ' ' ARG . 5.5 mmm180 -62.88 -46.01 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.7 33.64 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 7.8 ptm180 -72.78 128.52 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -92.92 37.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -114.46 160.82 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -101.91 -34.19 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -69.33 173.51 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.43 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.3 m120 -84.05 175.45 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -160.64 162.74 32.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -151.53 119.69 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mt -107.53 114.81 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.891 HD12 ' CG ' ' A' ' 53' ' ' GLU . 26.7 mt -96.31 146.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.681 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.8 mtm -138.51 160.34 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 162.94 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 110' ' ' TYR . 64.5 mt -108.2 132.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 15' ' ' ASP . 2.6 tp . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.899 0.38 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.631 HG12 ' CD1' ' A' ' 20' ' ' LEU . 21.5 t -68.68 122.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -127.94 155.05 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.748 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.4 tm? -57.03 128.01 34.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.533 ' N ' HD13 ' A' ' 51' ' ' LEU . 11.6 t0 -93.82 -45.64 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.891 ' CG ' HD12 ' A' ' 39' ' ' ILE . 10.0 pt-20 -175.29 151.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -115.19 129.49 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.624 ' HB3' HG11 ' A' ' 58' ' ' VAL . 41.0 mt -113.03 147.9 36.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.46 146.47 52.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 47.11 53.94 10.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 55' ' ' LEU . 15.0 m -114.83 169.68 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -117.15 159.59 40.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.693 0.759 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.915 ' HB3' HD23 ' A' ' 140' ' ' LEU . 53.3 Cg_endo -69.76 -12.91 33.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -95.2 -28.24 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -96.64 -28.18 14.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.48 -46.99 83.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.4 pttp -50.42 -36.55 33.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 5.3 t0 -56.6 -36.24 69.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -85.17 20.47 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 64' ' ' LYS . 26.5 mt -126.05 148.74 64.17 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 125.54 12.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -95.26 11.87 30.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -121.83 -36.11 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -119.18 147.58 43.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.79 130.48 19.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -133.65 157.1 46.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.881 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.9 m-85 -98.5 138.24 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.881 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.5 mp -149.74 132.61 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 100.1 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 77.8 t80 -101.13 158.78 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.507 ' OG ' HD22 ' A' ' 92' ' ' LEU . 25.8 t -133.01 95.23 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 87.0 t80 -70.55 168.84 15.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 65.2 tttt -111.99 104.99 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 25.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.506 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -102.87 95.85 6.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.739 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 89' ' ' SER . 53.8 Cg_endo -69.78 120.2 7.02 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.2 mm? -77.44 122.6 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 m -125.54 166.99 15.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.94 ' HB2' HD13 ' A' ' 123' ' ' LEU . 5.3 t80 -118.02 106.69 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.481 HG21 HD13 ' A' ' 135' ' ' LEU . 36.1 mt -94.2 101.81 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.82 86.53 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 t -64.45 106.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 11.1 t -132.61 101.26 14.42 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.691 0.757 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.76 133.77 26.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 130' ' ' ARG . 3.2 t -53.59 -26.48 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.72 21.1 5.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.1 p -99.05 155.72 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 156.58 51.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.76 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -45.9 -25.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.0 mm100 -93.37 -48.04 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -44.17 -34.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -77.93 -30.16 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' GLN . 44.5 ttp -68.46 -34.76 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 66.2 m-85 -94.33 -29.64 14.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -56.48 -62.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.08 -46.54 69.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -38.14 90.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.895 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 115' ' ' ASN . 9.3 ttpt -49.7 -62.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.1 t-20 -35.47 -58.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -49.5 -50.39 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.477 HD22 ' CG1' ' A' ' 16' ' ' VAL . 5.5 mt -49.67 -50.82 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.61 -19.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.02 -34.42 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.558 ' CG2' HG13 ' A' ' 21' ' ' VAL . 41.3 m -67.21 -41.76 85.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.67 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -89.2 -2.42 58.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 56.36 49.69 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.94 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.6 mt -95.05 136.36 35.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.1 p -95.09 -48.04 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 124.25 33.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.23 109.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 10.4 m-85 -110.06 148.32 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -127.24 127.94 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 135' ' ' LEU . 14.8 pt -102.12 139.39 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -77.64 -5.95 52.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -171.53 137.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.8 p -45.83 -34.14 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.8 -39.84 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.441 ' OD1' ' NH2' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -57.65 -39.08 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 95' ' ' ILE . 65.9 tp -60.95 92.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 60.2 p -138.88 170.52 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.91 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -49.85 -49.63 48.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.463 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 49.5 t90 -58.14 -37.87 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.915 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -53.02 -59.52 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -62.15 -25.5 67.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.97 -48.19 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 6.4 mmmt -64.47 -42.82 95.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.9 mt -69.65 -34.11 73.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 2.6 m-20 -110.54 172.84 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.518 HG22 ' HE3' ' A' ' 116' ' ' LYS . 30.5 m -108.76 117.94 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -58.7 129.58 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.59 -35.06 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.78 -30.23 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 14.1 tp -87.89 -51.98 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.545 HG22 HG21 ' A' ' 120' ' ' THR . 58.0 t -42.67 -54.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.95 -41.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.486 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.6 mttp -66.06 -53.8 33.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' A' ' 121' ' ' ALA . 77.0 mt -52.78 -43.71 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -53.38 -46.03 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.9 mmtp -65.28 -42.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.929 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.68 -56.87 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 5.6 mmm180 -60.06 -47.8 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.94 35.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.2 ptm180 -69.38 123.44 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 41.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 9.9 mm-40 -122.28 -178.13 3.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.3 m -121.92 -39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.22 169.27 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -73.79 177.7 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.55 154.16 13.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.783 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.55 113.89 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -103.3 119.95 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.887 HD12 ' HG3' ' A' ' 53' ' ' GLU . 14.8 mt -98.84 143.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 15.9 mtm -135.57 161.62 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 173.09 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 49' ' ' VAL . 43.5 mt -116.95 133.53 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.864 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.561 ' N ' HD13 ' A' ' 48' ' ' LEU . 19.2 t -71.68 122.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -124.42 166.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.794 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.9 tm? -73.82 123.75 24.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' HD13 ' A' ' 51' ' ' LEU . 13.0 t0 -89.2 -44.94 9.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.887 ' HG3' HD12 ' A' ' 39' ' ' ILE . 5.9 pt-20 -171.96 170.28 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.16 127.33 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.783 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 1.7 mm? -103.08 133.81 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 mt-10 -119.29 143.2 47.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 34.92 52.77 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.71 HG11 HD12 ' A' ' 55' ' ' LEU . 12.0 m -106.39 176.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 162.95 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.664 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.4 Cg_endo -69.77 -12.52 33.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.73 -26.5 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -96.7 -27.38 14.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.42 -48.61 74.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -53.99 -24.4 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.05 -28.49 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -89.28 13.33 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 75' ' ' ILE . 13.6 mt -120.13 151.24 52.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.41 16.15 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -128.49 -29.34 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -126.17 151.36 71.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.4 Cg_endo -69.77 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -139.21 157.87 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.78 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.6 m-30 -98.63 136.59 38.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.0 mp -149.1 131.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.57 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -102.22 155.85 17.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.603 ' OG ' HD22 ' A' ' 92' ' ' LEU . 22.2 t -131.23 94.8 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.483 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 75.5 t80 -69.27 169.34 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 58.0 tttt -113.69 107.84 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -103.48 95.25 6.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.77 120.91 7.62 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.929 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.59 122.49 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.12 157.46 41.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.8 t80 -103.14 110.47 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.46 100.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -81.92 93.6 6.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 59.8 p -73.11 98.67 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 p -119.83 100.98 48.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 115.47 4.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 100' ' ' VAL . 8.3 t -43.72 -25.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.92 21.15 4.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.4 p -102.62 161.81 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 156.59 51.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -47.68 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.256 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -44.79 -27.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 109' ' ' MET . 9.1 mm100 -91.94 -48.15 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 7.0 mm100 -42.96 -34.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.548 ' HE2' ' CE1' ' A' ' 110' ' ' TYR . 13.4 ttp -62.36 -38.57 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.548 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 90.1 m-85 -90.99 -31.36 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -58.37 -69.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.68 -42.59 85.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -62.7 -40.75 98.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.6 ttpt -47.79 -57.56 5.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.03 -63.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' A' ' 16' ' ' VAL . 1.5 tttp -45.38 -50.72 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.684 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 6.4 mt -50.43 -56.51 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -47.7 -21.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.545 HG21 HG22 ' A' ' 21' ' ' VAL . 25.7 m -67.08 -44.15 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.739 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -82.04 -4.85 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 61.54 49.66 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.4 mt -102.9 132.91 48.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 45.9 p -94.0 -45.43 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -85.13 124.52 31.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.19 113.06 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 7.6 m-85 -116.74 146.2 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -125.99 131.14 52.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 44.3 pt -104.43 137.96 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -65.19 -30.64 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.45 142.42 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 38.2 p -44.55 -32.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.46 -40.15 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.8 t0 -54.26 -41.03 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.5 tt -50.04 94.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.8 p -141.86 156.27 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -48.79 -54.78 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 20.1 t90 -62.48 -43.53 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.38 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -50.26 -29.29 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.46 -44.13 95.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 23.2 mt -66.62 -37.66 85.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.508 179.888 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.756 0.312 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.674 ' HB2' HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -102.79 170.8 7.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -103.18 121.9 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.77 126.34 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.37 -49.68 53.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -35.08 22.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 50' ' ' VAL . 1.7 tp -82.27 -52.63 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ALA . 51.9 t -39.58 -53.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.9 -38.29 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.541 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.4 mttp -67.71 -37.93 82.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.657 HD11 ' SD ' ' A' ' 40' ' ' MET . 74.7 mt -72.56 -48.54 39.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' HG12 ' A' ' 21' ' ' VAL . 54.5 mtm180 -50.82 -48.57 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -58.65 -38.05 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.13 -54.13 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.73 -45.48 89.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.79 34.7 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -70.66 122.95 20.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' CD ' ' O ' ' A' ' 31' ' ' LYS . 1.3 pptp? -89.32 32.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 65.3 mm-40 -113.18 166.71 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -105.42 -43.76 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 12.3 p-80 -54.74 178.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -86.49 178.78 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.09 157.26 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.98 118.77 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.411 HD12 ' HD2' ' A' ' 27' ' ' PHE . 27.1 mt -108.15 122.96 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 ' CG ' ' A' ' 53' ' ' GLU . 39.2 mt -102.02 141.36 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.657 ' SD ' HD11 ' A' ' 24' ' ' LEU . 14.8 mtm -133.92 164.23 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 176.45 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.99 133.16 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.845 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 15' ' ' ASP . 3.3 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.857 0.36 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 117' ' ' LEU . 22.1 t -68.0 116.36 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.528 ' C ' HD22 ' A' ' 20' ' ' LEU . 18.2 m -120.18 169.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.571 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.4 tm? -75.16 122.85 24.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -86.84 -45.05 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.82 ' CG ' HD12 ' A' ' 39' ' ' ILE . 8.4 pt-20 -173.88 170.08 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -135.11 128.0 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB3' HG11 ' A' ' 58' ' ' VAL . 25.1 mt -113.82 149.77 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' GLY . 34.8 mt-10 -125.67 150.1 47.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.48 60.66 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.727 HG11 ' HB3' ' A' ' 55' ' ' LEU . 10.8 m -113.46 174.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -122.75 161.76 42.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.586 ' O ' HD22 ' A' ' 135' ' ' LEU . 52.9 Cg_endo -69.88 -10.69 29.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.641 2.227 . . . . 0.0 112.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -28.17 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -95.29 -24.03 16.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.475 HD13 HD12 ' A' ' 55' ' ' LEU . 14.5 tp -61.71 -57.38 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 2.1 pttt -46.54 -37.02 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.492 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -58.49 -34.94 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -89.51 17.36 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 75' ' ' ILE . 60.4 mt -120.93 150.59 53.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.13 17.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -101.58 21.12 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -129.25 -32.53 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 99' ' ' PRO . 16.1 mt-30 -125.54 151.42 70.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.566 0.698 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 97' ' ' SER . 54.0 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -133.26 156.67 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.834 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.4 m-30 -97.83 138.01 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.834 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.2 mp -149.37 127.98 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.2 t -109.75 99.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -98.67 158.44 15.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -131.58 95.18 3.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' HB2' HD21 ' A' ' 140' ' ' LEU . 62.6 t80 -69.78 169.76 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.3 tttt -116.68 97.05 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.871 0.367 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -113.49 91.96 22.0 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.709 0.766 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.2 Cg_endo -69.82 124.07 10.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.893 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.8 mm? -77.81 125.72 29.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.52 153.66 47.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.884 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -103.79 107.26 18.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.5 101.09 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -81.83 98.53 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 13.4 t -78.9 95.22 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -114.17 101.07 53.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.679 0.752 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.433 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 53.9 Cg_endo -69.78 122.02 8.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 t -49.36 -24.53 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.68 20.7 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 p -104.56 161.93 13.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -85.9 153.37 57.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.715 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -40.93 4.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.73 -27.24 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -93.87 -41.29 9.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -46.81 -36.11 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.1 mtm -72.57 -39.86 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 54.4 ttp -60.5 -41.19 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.632 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.5 m-85 -86.49 -34.61 19.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -57.41 -69.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.24 88.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 m -62.1 -40.64 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.5 ttpt -49.76 -60.77 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -33.82 -56.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -46.81 -53.99 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.53 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.8 -52.85 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 123' ' ' LEU . 83.1 t -44.22 -26.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -90.67 -38.86 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.534 ' CG2' HG13 ' A' ' 21' ' ' VAL . 15.7 m -65.17 -39.44 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.58 -3.71 59.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 62.23 47.06 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.884 HD13 ' HB2' ' A' ' 94' ' ' PHE . 6.9 mt -95.53 143.34 26.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -107.68 -32.66 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -104.56 126.74 51.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.435 HG21 HG21 ' A' ' 118' ' ' VAL . 22.0 t -130.65 117.7 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 14.3 m-85 -121.31 139.34 53.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -118.74 129.48 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.494 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 28.6 pt -106.7 131.83 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 10.4 ptt-85 -63.47 -27.64 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 8.1 m-20 -147.18 144.55 29.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.6 p -53.57 -30.72 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.48 -42.29 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.93 -39.21 62.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.7 tt -56.73 89.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.2 p -134.68 162.56 31.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -49.24 -55.63 11.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.49 -49.67 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 14.3 t90 -57.68 -37.96 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 79' ' ' TYR . 17.7 tp -59.76 -64.76 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -55.15 -24.2 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.25 -41.07 94.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.71 -38.25 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.55 -37.77 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.83 0.347 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.656 ' HB2' HD11 ' A' ' 48' ' ' LEU . 3.7 m-20 -100.27 162.68 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 16' ' ' VAL . 30.4 m -94.67 120.66 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.38 132.47 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.89 -45.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -54.78 -26.31 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.67 -54.29 4.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 17' ' ' ALA . 41.3 t -40.4 -49.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 6.5 pt-20 -43.94 -42.38 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 36.1 mttt -64.78 -53.4 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 121' ' ' ALA . 84.1 mt -53.21 -43.09 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -53.68 -44.7 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 31.4 mmtt -68.32 -40.59 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.857 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -42.23 -55.77 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -61.25 -47.37 86.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -95.31 35.39 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LYS . 5.3 ptm85 -73.67 122.13 21.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -89.2 37.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -117.58 150.5 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -86.21 -46.45 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -55.47 178.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 1.5 m120 -91.35 -179.49 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.76 157.91 27.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.51 115.34 5.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.535 HD12 ' HD2' ' A' ' 27' ' ' PHE . 17.6 mt -105.87 119.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 53' ' ' GLU . 15.6 mt -99.4 140.72 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.9 mtm -129.86 167.98 17.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.25 169.75 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.7 mt -114.64 131.16 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.821 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 15' ' ' ASP . 8.0 tp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HD21 ' A' ' 117' ' ' LEU . 22.9 t -70.84 106.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.28 158.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.2 tm? -64.95 129.21 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -91.49 -46.35 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.644 ' CG ' HD12 ' A' ' 39' ' ' ILE . 11.0 pt-20 -173.83 163.71 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -121.22 124.38 44.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.696 ' HB3' HG11 ' A' ' 58' ' ' VAL . 47.9 mt -109.7 131.36 55.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 58' ' ' VAL . 15.1 mp0 -117.31 155.11 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.82 59.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 55' ' ' LEU . 18.2 m -116.43 175.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -126.15 161.44 51.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.745 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.79 -10.35 28.32 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -33.07 12.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -91.66 -32.68 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 55' ' ' LEU . 23.0 tp -53.94 -53.05 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.699 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.6 pttt -51.05 -33.77 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 7.2 t0 -62.71 -32.83 74.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -86.52 18.85 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 64' ' ' LYS . 19.4 mt -124.3 152.07 67.25 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.583 0.706 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 137.54 35.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.363 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.69 12.68 30.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.87 -30.8 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -126.85 151.23 73.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.78 43.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -142.36 157.71 44.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.771 ' C ' HD12 ' A' ' 75' ' ' ILE . 20.2 m-85 -98.71 139.43 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.771 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.1 mp -148.64 135.64 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.9 t -119.62 99.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 75.4 t80 -103.69 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.1 t -131.48 94.66 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CD1' HD23 ' A' ' 140' ' ' LEU . 57.2 t80 -66.03 169.79 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 62.3 tttt -114.92 97.33 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -109.97 94.73 18.35 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.698 0.761 . . . . 0.0 110.885 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.3 Cg_endo -69.82 123.26 9.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.857 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.3 mm? -77.43 124.89 28.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.435 ' SG ' HD21 ' A' ' 144' ' ' LEU . 32.8 m -130.56 158.69 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 4.6 t80 -106.52 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -102.89 100.93 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -82.06 96.1 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.8 t -72.39 96.07 1.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.0 p -116.29 101.13 53.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.9 13.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 130' ' ' ARG . 11.9 t -48.27 -28.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.89 24.07 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.5 p -100.32 161.22 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.0 ptmt -96.02 156.33 37.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 107' ' ' GLN . 53.7 Cg_endo -69.74 -46.48 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.46 -29.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 25.6 mm-40 -92.47 -40.1 11.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.1 mm100 -50.01 -37.09 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -69.17 -39.96 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.544 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 44.2 ttp -61.43 -47.6 85.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.544 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 86.8 m-85 -79.97 -32.6 39.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -58.06 -66.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.61 93.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 m -61.59 -42.39 98.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 12.3 ttpt -47.22 -57.62 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -35.03 -66.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -40.33 -48.01 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.503 HD21 HG21 ' A' ' 49' ' ' VAL . 8.4 mt -53.75 -53.49 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.18 -17.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -95.22 -34.78 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.468 ' CG2' HG13 ' A' ' 21' ' ' VAL . 26.8 m -70.22 -42.57 72.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.579 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -83.96 -2.22 56.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 57.8 52.83 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' A' ' 92' ' ' LEU . 4.9 mt -103.98 132.28 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.1 p -95.65 -37.03 11.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -89.34 129.36 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.17 113.1 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.9 m-85 -121.74 140.69 52.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.66 134.09 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' ' 129' ' ' ILE . 32.5 pt -108.42 129.97 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.715 ' O ' HG23 ' A' ' 100' ' ' VAL . 24.6 ptt180 -69.35 -17.3 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -149.97 129.78 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.9 p -45.15 -30.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.581 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.3 t0 -46.01 -44.71 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.745 HD22 ' O ' ' A' ' 60' ' ' PRO . 2.2 tt -53.02 96.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.5 p -142.9 157.93 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -44.23 -52.76 7.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.96 -55.61 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.581 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 39.0 t90 -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.519 HD23 ' CD1' ' A' ' 79' ' ' TYR . 10.9 tp -53.46 -61.64 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -55.77 -26.65 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -64.86 -43.61 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.67 -38.0 73.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.435 HD21 ' SG ' ' A' ' 93' ' ' CYS . 55.4 mt -69.25 -34.94 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.639 ' N ' ' HG ' ' A' ' 113' ' ' SER . 90.3 m . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.762 0.315 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 4.7 m-20 -108.09 168.1 9.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG12 HD22 ' A' ' 117' ' ' LEU . 15.3 m -98.97 124.4 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -64.39 127.5 31.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.13 -38.97 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.49 -30.48 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp -85.63 -53.88 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.603 HG22 HG21 ' A' ' 120' ' ' THR . 25.0 t -41.29 -51.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.8 pt-20 -43.76 -44.39 6.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 43.9 mttt -62.92 -56.49 16.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 121' ' ' ALA . 79.3 mt -49.79 -44.44 49.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 33.2 mtm180 -53.91 -44.07 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ARG . 19.2 mmtm -65.76 -46.31 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.963 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.08 -51.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -63.46 -48.28 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.6 m-85 -97.89 36.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.4 ptm85 -75.91 127.78 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.42 35.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.8 mm-40 -121.63 146.47 46.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 ' OH ' ' A' ' 90' ' ' TYR . 96.5 m -89.48 -37.74 14.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 2.7 p-80 -58.24 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -96.63 179.62 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.573 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -164.65 170.06 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -157.67 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.06 122.62 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.724 HD12 ' HG3' ' A' ' 53' ' ' GLU . 14.6 mt -102.93 145.91 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.4 mtm -137.68 145.06 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -136.37 162.94 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.88 138.41 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.864 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.4 tp . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 27.5 t -70.95 119.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.46 161.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.69 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.6 tm? -71.87 123.45 22.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -86.56 -45.94 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.724 ' HG3' HD12 ' A' ' 39' ' ' ILE . 13.5 pt-20 -173.74 163.11 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 6.4 mt-10 -123.54 126.91 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.707 ' HB3' HG11 ' A' ' 58' ' ' VAL . 15.2 mt -111.72 131.13 55.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -114.57 153.96 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.22 60.27 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.707 HG11 ' HB3' ' A' ' 55' ' ' LEU . 16.4 m -117.23 178.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.13 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -129.35 162.1 54.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.524 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.7 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -94.93 -31.31 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -93.35 -29.75 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.95 -54.1 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -51.4 -28.48 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.53 -29.14 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -90.88 10.66 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 75' ' ' ILE . 39.4 mt -115.59 150.96 45.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 133.21 24.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -103.16 18.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -128.65 -31.12 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -124.23 148.01 56.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 54.3 Cg_endo -69.74 129.5 17.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 13.9 tpp180 -133.09 157.26 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.816 ' C ' HD12 ' A' ' 75' ' ' ILE . 20.8 m-85 -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.816 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.3 mp -148.69 129.41 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.3 100.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -94.28 144.9 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.612 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 47.8 t -112.03 94.66 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 67.8 t80 -79.63 169.55 17.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.61 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 59.9 tttt -112.19 127.21 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -109.84 87.78 6.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.671 0.748 . . . . 0.0 110.923 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 109.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.963 HD21 ' CD1' ' A' ' 27' ' ' PHE . 7.6 mp -78.22 124.6 28.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.69 158.36 28.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.482 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 18.0 t80 -96.82 110.98 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.9 mt -101.01 101.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -82.77 93.29 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 91.4 p -69.9 94.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -114.15 101.85 54.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.79 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.401 HG11 ' HD2' ' A' ' 130' ' ' ARG . 33.5 m -39.39 -36.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.61 27.94 2.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' PRO . 14.8 p -94.8 161.99 13.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.6 ptmt -95.85 155.43 38.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.547 0.689 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.15 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.761 2.307 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -40.83 -30.8 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.455 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 29.4 mm-40 -92.45 -48.42 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.1 mm100 -42.73 -32.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 4.3 mtm -70.77 -53.33 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.0 ttp -55.17 -44.66 75.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 68.9 m-85 -75.42 -44.97 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -49.95 -69.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.17 -56.6 18.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.639 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 39.3 m -49.08 -41.66 36.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.396 . . . . 0.0 110.852 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 11.8 ttpt -48.95 -59.45 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.92 -65.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.554 ' HE2' HG22 ' A' ' 16' ' ' VAL . 12.3 tttt -44.46 -49.29 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.637 HD22 HG12 ' A' ' 16' ' ' VAL . 5.7 mt -50.29 -50.97 48.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 71.3 t -52.87 -20.09 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -94.04 -34.45 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.603 HG21 HG22 ' A' ' 21' ' ' VAL . 55.0 m -67.39 -44.32 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.803 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -84.68 -2.45 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 56.47 48.52 16.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.04 132.7 44.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.2 p -92.3 -46.2 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.6 mppt? -82.91 123.25 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -130.81 108.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -113.63 148.07 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -129.38 130.32 45.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 pt -104.63 134.38 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 9.7 ptt-85 -68.95 -29.1 67.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 4.0 m-20 -144.82 138.46 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.7 p -46.87 -35.74 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.23 -36.12 68.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.478 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.59 -41.94 74.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.8 tt -52.78 95.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 72.7 p -142.26 160.33 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.73 -56.28 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.11 -40.77 67.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.478 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 41.7 t90 -60.95 -42.73 98.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 79' ' ' TYR . 11.4 mt -53.94 -70.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -45.14 -29.6 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -63.57 -45.92 88.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.19 -41.48 73.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.1 -37.23 85.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.656 ' N ' ' HG ' ' A' ' 113' ' ' SER . 72.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.809 0.337 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.494 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.7 m-20 -113.16 172.46 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.561 HG22 ' HE3' ' A' ' 116' ' ' LYS . 35.5 m -106.43 130.64 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.649 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -72.69 136.91 45.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -50.67 -47.4 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.34 -21.74 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.792 HD11 ' HG2' ' A' ' 40' ' ' MET . 1.6 tt -91.35 -54.1 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 120' ' ' THR . 19.4 t -44.59 -54.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 10.9 pt-20 -44.38 -41.77 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.503 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 3.4 mtpp -63.13 -48.49 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 121' ' ' ALA . 83.7 mt -56.07 -44.31 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -56.18 -47.88 77.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.5 mmtt -62.82 -37.91 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.88 -49.99 37.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.609 HH21 HD23 ' A' ' 92' ' ' LEU . 1.1 mmp_? -66.51 -46.0 77.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -95.4 30.93 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.4 ptm180 -69.93 122.52 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -87.46 37.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.67 152.1 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 m -92.17 -40.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -63.0 175.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.61 178.97 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.86 159.97 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -154.33 121.69 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.604 HD12 ' HD2' ' A' ' 27' ' ' PHE . 33.5 mt -110.26 114.04 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.975 HD12 ' CG ' ' A' ' 53' ' ' GLU . 17.7 mt -92.28 144.26 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.792 ' HG2' HD11 ' A' ' 20' ' ' LEU . 12.4 mtm -137.02 147.17 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -142.28 169.81 16.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -112.59 136.21 49.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.847 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' ' 20' ' ' LEU . 18.6 t -71.34 116.22 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.592 ' CA ' HD12 ' A' ' 20' ' ' LEU . 33.6 m -124.84 154.4 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.515 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.0 tm? -58.58 130.95 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' N ' HD22 ' A' ' 51' ' ' LEU . 12.9 t0 -98.26 -43.43 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.975 ' CG ' HD12 ' A' ' 39' ' ' ILE . 14.2 pt-20 -174.31 154.53 2.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.81 120.38 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.2 mp -103.31 123.19 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -107.39 150.04 27.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.19 58.88 1.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.727 HG11 ' HB3' ' A' ' 55' ' ' LEU . 14.6 m -115.68 168.32 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -112.12 162.04 23.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.537 ' HB3' HD11 ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.8 -17.48 37.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.37 -18.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.52 -26.96 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 75' ' ' ILE . 12.6 tp -64.83 -55.45 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.729 ' HB3' HD23 ' A' ' 135' ' ' LEU . 4.5 pttp -44.94 -33.46 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HG3' HD21 ' A' ' 55' ' ' LEU . 4.0 mm-40 -82.1 14.16 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.447 ' CD2' HG12 ' A' ' 75' ' ' ILE . 42.7 mt -119.05 152.26 51.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.44 27.96 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -103.81 20.95 17.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -134.75 -34.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -118.3 147.44 41.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.75 131.95 22.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 12.8 tpp180 -135.43 157.63 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.66 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.4 m-85 -99.99 133.37 44.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 75' ' ' ILE . 1.1 mp -147.61 131.12 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -112.51 100.06 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -98.89 155.62 17.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.2 t -125.77 95.02 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 49.4 t80 -63.28 170.44 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 66.0 tttt -116.94 91.66 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.945 0.402 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -118.96 92.42 45.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.94 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.79 126.06 12.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.02 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.0 mm? -77.4 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.5 m -130.88 148.43 52.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.749 ' HB2' HD13 ' A' ' 123' ' ' LEU . 7.1 t80 -99.64 109.44 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.45 HD13 ' CD1' ' A' ' 135' ' ' LEU . 51.5 mt -95.63 101.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.59 89.39 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.3 t -71.58 102.32 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.405 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 57.8 p -126.61 101.28 27.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 54.3 Cg_endo -69.69 115.19 3.97 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 100' ' ' VAL . 6.3 t -42.96 -25.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 16.3 8.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' PRO . 12.4 p -97.25 161.57 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 156.03 52.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.558 0.694 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.9 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -43.54 -28.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.484 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 25.2 mm-40 -92.42 -44.73 8.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.0 mm100 -45.75 -33.08 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.3 mtm -72.88 -36.88 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.556 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 56.2 ttp -64.68 -44.04 91.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 86.4 m-85 -82.59 -41.04 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -47.27 -69.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.49 -55.68 28.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.656 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 25.7 m -47.13 -37.3 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.911 -179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' ASN . 14.6 ttpt -52.4 -56.94 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.4 t-20 -34.92 -63.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.561 ' HE3' HG22 ' A' ' 16' ' ' VAL . 1.3 tttp -45.38 -49.8 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 74' ' ' PHE . 5.6 mt -49.76 -55.58 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.93 -20.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.72 -33.56 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.675 ' CG2' HG13 ' A' ' 21' ' ' VAL . 74.6 m -71.63 -37.73 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.84 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -88.89 -5.59 57.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 58.23 53.95 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 94' ' ' PHE . 13.2 mt -105.82 138.34 42.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.8 p -99.82 -35.06 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.71 120.83 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.46 107.61 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 8.1 m-85 -112.56 150.87 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -129.16 140.95 51.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' A' ' 135' ' ' LEU . 21.9 pt -117.99 134.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.574 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 16.3 ptt180 -62.98 -32.65 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.574 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 5.8 m-20 -147.41 144.96 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.5 p -49.15 -29.97 6.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.86 -41.71 87.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -37.8 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 64' ' ' LYS . 59.4 tp -57.07 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.5 p -141.45 165.16 28.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.17 -59.38 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.9 -41.8 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -59.94 -42.2 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 60' ' ' PRO . 11.4 mt -55.63 -61.82 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -52.54 -21.87 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.77 -43.5 62.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.514 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.14 -41.42 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.4 mt -71.02 -37.28 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.902 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.3 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.814 0.34 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -100.73 172.27 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.8 m -103.08 119.81 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.36 123.91 17.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.32 -36.27 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.34 74.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 2.4 tp -83.45 -53.38 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 17' ' ' ALA . 40.5 t -39.78 -49.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.0 pt-20 -43.73 -43.32 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 34.9 mttp -66.82 -51.19 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 121' ' ' ALA . 77.4 mt -53.42 -45.32 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -53.55 -47.57 69.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 30.3 mmtt -64.84 -42.35 94.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.89 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -39.78 -54.55 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -58.83 -48.69 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -98.01 36.55 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.5 ptm85 -73.17 123.94 24.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -86.01 38.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 10.6 mm-40 -119.22 149.78 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.2 m -91.17 -44.48 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.3 p-80 -54.45 176.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.56 174.51 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.05 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.811 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -153.2 115.64 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.518 HD12 ' HD2' ' A' ' 27' ' ' PHE . 22.7 mt -104.43 125.17 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.949 HD12 ' CG ' ' A' ' 53' ' ' GLU . 18.1 mt -103.61 147.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.453 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 13.5 mtm -137.6 153.65 49.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 164.75 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.7 mt -119.57 134.61 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.2 tp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.819 0.343 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.532 HG21 HD11 ' A' ' 117' ' ' LEU . 46.2 t -69.36 118.47 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.8 159.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.642 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.9 tm? -68.27 131.96 46.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.475 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.0 t0 -100.75 -44.76 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.949 ' CG ' HD12 ' A' ' 39' ' ' ILE . 9.1 pt-20 -171.87 166.67 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.7 mt-10 -127.92 132.0 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.811 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.3 mm? -105.73 134.75 48.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' GLY . 46.8 mt-10 -120.02 142.43 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.38 49.54 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.785 HG11 HD12 ' A' ' 55' ' ' LEU . 10.9 m -103.05 179.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -127.38 162.12 50.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.48 ' O ' HD22 ' A' ' 135' ' ' LEU . 54.1 Cg_endo -69.76 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.21 -27.27 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -97.19 -31.11 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 HG21 ' A' ' 75' ' ' ILE . 28.5 tp -58.37 -52.87 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.9 pttt -49.23 -23.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.17 -32.88 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -84.43 14.14 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.4 mt -122.84 151.54 61.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.24 53.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.57 9.94 23.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 25.5 mtm105 -121.17 -25.88 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -130.13 152.39 80.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 141.91 46.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -143.78 156.88 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.829 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.3 m-85 -98.26 138.83 34.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.829 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -149.35 131.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.5 99.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -101.58 158.07 16.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t -131.46 94.55 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.8 t80 -68.25 169.64 10.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 64.9 tttt -115.17 100.58 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.7 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 94.41 7.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.0 Cg_endo -69.75 123.35 10.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.1 mm? -77.36 122.76 25.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.453 ' SG ' HD21 ' A' ' 144' ' ' LEU . 17.3 m -127.82 153.85 46.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.895 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -102.34 109.32 20.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.09 100.93 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.13 92.68 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.0 t -78.43 102.94 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -122.93 101.22 39.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.5 4.12 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.8 t -43.92 -26.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 22.51 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.06 161.81 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 157.37 58.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -44.8 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -47.56 -25.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -93.98 -40.83 9.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -48.26 -37.3 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -73.34 -43.55 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.536 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 59.6 ttp -56.63 -33.89 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 64.0 m-85 -93.77 -37.08 11.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -53.92 -69.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.08 -50.75 57.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.407 ' O ' HD13 ' A' ' 117' ' ' LEU . 1.9 m -54.5 -41.19 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.3 ttpt -47.84 -61.13 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.24 -58.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -49.31 -53.68 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.538 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.63 -55.32 11.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 79.7 t -45.41 -27.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -89.09 -38.82 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 m -65.31 -45.21 85.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.553 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -80.97 -1.76 45.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 57.5 48.83 13.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 94' ' ' PHE . 7.5 mt -98.06 129.42 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.0 p -90.94 -46.93 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -89.36 128.74 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 79.7 t -129.46 112.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.5 m-85 -116.53 140.71 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -120.83 139.75 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.51 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 22.9 pt -117.36 136.06 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.534 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 20.3 ptt180 -64.9 -32.26 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.534 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 4.6 m-20 -146.64 140.86 26.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -45.03 -33.43 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -54.42 -41.3 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -40.73 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -56.31 89.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 82.7 p -136.85 163.59 30.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -49.08 -58.1 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -54.07 -51.16 64.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.7 t90 -54.72 -41.48 70.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 79' ' ' TYR . 11.7 tp -54.21 -65.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -53.65 -27.46 27.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -62.6 -42.66 99.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.9 mmmt -69.66 -39.11 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.453 HD21 ' SG ' ' A' ' 93' ' ' CYS . 68.7 mt -71.9 -33.99 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.453 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.655 ' HB2' HD11 ' A' ' 48' ' ' LEU . 12.6 m-20 -95.64 163.93 12.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.5 m -96.12 122.49 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' CB ' HG12 ' A' ' 50' ' ' VAL . . . -58.93 133.41 56.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -49.14 -45.11 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -23.87 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.651 HD21 ' HG2' ' A' ' 40' ' ' MET . 1.3 tt -86.15 -55.14 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' CG2' ' A' ' 120' ' ' THR . 12.2 t -45.4 -59.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 7.1 pt-20 -37.82 -39.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 20.3 mttp -68.75 -42.65 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 121' ' ' ALA . 53.1 mt -62.62 -53.14 59.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -47.9 -50.91 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' ARG . 14.9 mmtt -61.68 -37.05 82.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -49.29 -55.16 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -63.33 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -95.37 30.2 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.0 ptm85 -66.77 125.22 25.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -93.5 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' A' ' 30' ' ' ARG . 48.3 mt-10 -117.21 177.96 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -115.89 -35.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 32' ' ' GLU . 7.7 p-80 -70.62 176.51 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.439 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.5 m120 -84.87 177.23 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.68 161.68 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -150.89 120.96 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.39 114.38 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.036 HD12 ' CG ' ' A' ' 53' ' ' GLU . 47.1 mt -94.28 146.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.651 ' HG2' HD21 ' A' ' 20' ' ' LEU . 15.4 mtm -140.79 159.13 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.782 ' HZ3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -157.78 170.48 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.36 135.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 15' ' ' ASP . 9.1 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.35 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' LEU . 19.7 t -67.84 114.93 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' HZ3' ' A' ' 41' ' ' LYS . 12.1 m -122.57 160.38 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.744 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.9 tm? -64.86 127.33 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.539 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 14.7 t0 -91.78 -47.25 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 1.036 ' CG ' HD12 ' A' ' 39' ' ' ILE . 10.1 pt-20 -171.51 144.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -111.67 123.7 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HB3' HG11 ' A' ' 58' ' ' VAL . 3.5 mt -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -122.7 151.04 41.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.68 48.67 28.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 55' ' ' LEU . 5.8 m -109.57 176.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -125.03 161.43 49.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.83 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -15.42 37.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -94.75 -25.89 16.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.19 -24.56 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.473 HD21 HG21 ' A' ' 75' ' ' ILE . 15.8 tp -66.54 -51.75 53.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' CB ' HD23 ' A' ' 135' ' ' LEU . 5.9 pttp -48.51 -27.98 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.5 -35.93 82.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.26 14.72 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.456 HD13 HG12 ' A' ' 75' ' ' ILE . 16.2 mt -118.29 149.77 46.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 53.5 Cg_endo -69.72 127.91 15.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -94.92 7.8 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -123.17 -34.04 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -115.87 143.14 30.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.76 126.23 13.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 12.9 tpp180 -129.14 158.01 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.744 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.2 m-85 -98.18 139.91 33.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.762 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -148.57 146.18 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.495 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 54.4 t -130.85 99.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.439 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 82.9 t80 -101.46 154.48 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.5 t -126.34 95.04 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.563 ' HB2' HD21 ' A' ' 140' ' ' LEU . 64.0 t80 -67.43 169.8 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.5 tttt -115.12 99.4 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -105.1 92.92 5.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.1 Cg_endo -69.76 121.16 7.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.314 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.95 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.78 123.85 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 144' ' ' LEU . 3.5 m -126.11 159.22 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.904 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.4 t80 -106.49 117.34 33.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.1 mt -107.37 101.8 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.28 91.6 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 t -69.98 101.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 2.6 t -127.96 102.27 22.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.5 Cg_endo -69.76 128.13 15.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' ' 131' ' ' ASN . 35.8 m -48.45 -32.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.25 2.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.07 158.13 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -86.68 155.39 56.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 108' ' ' MET . 54.0 Cg_endo -69.75 -50.47 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -41.26 -30.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.6 mm-40 -88.36 -51.05 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -43.33 -33.42 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 0.7 OUTLIER -83.87 -27.67 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.504 ' HE2' ' CE2' ' A' ' 110' ' ' TYR . 37.4 ttp -68.63 -42.3 78.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.504 ' CE2' ' HE2' ' A' ' 109' ' ' MET . 57.2 m-85 -83.38 -48.11 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -38.49 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.0 -46.23 9.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -68.01 -25.7 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.7 ttpp -60.08 -58.55 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -35.34 -63.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -50.1 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.16 -51.21 45.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.33 -19.52 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.39 -34.12 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.5 ' CG2' HG13 ' A' ' 21' ' ' VAL . 8.1 m -70.58 -53.15 17.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.84 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -73.44 -6.45 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 58.16 53.49 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.904 HD13 ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -95.48 144.65 25.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.19 -34.18 7.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -103.58 118.27 36.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.38 110.44 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 8.6 m-85 -112.6 154.5 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -130.9 142.86 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 135' ' ' LEU . 21.0 pt -117.49 138.2 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.442 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 11.2 ptt180 -70.06 -26.12 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 100' ' ' VAL . 1.6 m-80 -153.49 134.34 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 56.2 p -40.53 -29.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.74 -44.89 90.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -52.16 -36.95 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.557 ' HB2' HD13 ' A' ' 129' ' ' ILE . 53.9 tp -61.33 87.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.6 p -130.84 178.18 6.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.4 -62.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -51.5 -56.68 12.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 41.9 t90 -47.69 -33.63 7.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 79' ' ' TYR . 13.8 tp -64.34 -61.8 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -58.38 -17.8 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.92 -41.13 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.52 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.22 -38.41 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 93' ' ' CYS . 72.5 mt -74.07 -31.44 62.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.816 0.341 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' LEU . 5.3 m-20 -87.88 160.0 18.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 120' ' ' THR . 32.7 m -92.97 119.38 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -61.5 141.65 57.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.3 -46.2 72.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.92 -31.22 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 10.5 tp -85.01 -52.98 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 17' ' ' ALA . 29.7 t -44.77 -52.06 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.9 pt-20 -42.61 -44.28 4.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 33.1 mttt -65.01 -53.89 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.2 mt -51.27 -45.47 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -52.7 -46.47 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' ARG . 21.3 mmtm -64.32 -42.06 96.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.939 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.4 -49.52 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.47 -50.26 68.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.93 36.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' NH2' ' CD ' ' A' ' 32' ' ' GLU . 4.3 ptm85 -74.55 125.42 28.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -89.66 39.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.49 ' CD ' ' NH2' ' A' ' 30' ' ' ARG . 10.6 mt-10 -118.47 146.3 44.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.9 m -87.02 -39.7 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -60.48 179.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -89.06 175.12 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.45 160.74 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -156.95 116.82 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' HD2' ' A' ' 27' ' ' PHE . 34.1 mt -105.32 119.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 53' ' ' GLU . 15.6 mt -97.51 140.86 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 15.0 mtm -136.31 133.79 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -124.5 173.66 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 54.9 mt -118.03 136.98 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.878 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.9 tp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.896 0.379 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.95 121.1 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.402 HG23 ' HE3' ' A' ' 41' ' ' LYS . 35.5 m -124.66 158.04 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.725 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.4 tm? -71.8 129.78 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.538 ' N ' HD13 ' A' ' 51' ' ' LEU . 11.8 t0 -93.97 -47.1 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 39' ' ' ILE . 12.3 pt-20 -168.35 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.454 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.3 mt-10 -124.5 116.39 22.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.683 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.4 mp -96.29 124.25 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' GLY . 41.3 mt-10 -110.7 151.79 27.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.77 58.33 1.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.683 HG11 ' HB3' ' A' ' 55' ' ' LEU . 14.2 m -112.6 179.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 p -124.37 157.9 63.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.687 0.756 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.79 -13.19 34.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.97 -28.76 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.37 -33.06 15.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.469 HD21 HG21 ' A' ' 75' ' ' ILE . 19.6 tp -57.07 -50.57 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -49.9 -26.96 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.08 -31.12 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -86.96 12.78 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 75' ' ' ILE . 33.0 mt -117.38 150.3 46.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.714 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -106.06 11.75 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -123.27 -24.24 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -133.22 149.37 72.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.659 0.743 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.7 137.12 34.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 tpp180 -137.63 156.66 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.723 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.8 m-85 -98.12 135.3 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.723 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.3 mp -148.46 138.91 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 61.1 t -122.35 99.67 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -103.2 153.84 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' HD22 ' A' ' 92' ' ' LEU . 45.2 t -125.75 94.93 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 62.1 t80 -64.54 169.81 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.8 tttt -115.18 104.2 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.928 0.394 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -110.84 89.47 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.958 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.0 Cg_endo -69.75 123.17 9.84 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.939 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.5 mm? -77.32 125.38 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.8 m -130.97 148.75 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.819 ' HB2' HD13 ' A' ' 123' ' ' LEU . 16.5 t80 -94.75 113.87 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 135' ' ' LEU . 66.2 mt -98.88 101.16 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.12 91.32 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.2 t -72.34 106.38 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -127.33 101.23 25.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.18 22.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 130' ' ' ARG . 35.3 m -51.84 -33.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.62 28.08 2.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 p -99.9 156.86 16.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 157.42 40.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.539 0.685 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 108' ' ' MET . 53.5 Cg_endo -69.78 -49.98 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.65 -28.32 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -93.78 -45.92 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.0 mm100 -45.94 -42.49 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 1.3 mtm -63.51 -38.79 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 ttp -62.46 -57.21 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 72' ' ' PRO . 80.9 m-85 -68.0 -34.86 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -56.04 -67.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.02 76.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 26.1 m -56.15 -43.42 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.867 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.4 ttpt -45.84 -56.83 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.5 t-20 -35.17 -61.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -47.99 -49.15 31.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.46 HD11 ' CE2' ' A' ' 74' ' ' PHE . 7.1 mt -51.42 -56.68 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.84 -21.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -91.62 -35.51 14.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.614 HG21 HG21 ' A' ' 16' ' ' VAL . 91.8 m -67.33 -46.58 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.94 -2.26 46.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.12 50.99 14.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 94' ' ' PHE . 8.2 mt -97.91 127.01 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.0 p -87.68 -45.66 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -86.13 120.47 27.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -123.12 113.02 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 4.3 m-85 -115.21 139.97 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -121.26 140.57 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 135' ' ' LEU . 26.9 pt -120.63 128.5 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.673 ' O ' HG13 ' A' ' 100' ' ' VAL . 1.4 ppt_? -80.09 9.85 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -171.75 121.69 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -43.76 -36.46 2.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.57 -40.88 69.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.456 ' OD2' ' CD1' ' A' ' 139' ' ' TRP . 2.2 t70 -53.75 -35.88 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 95' ' ' ILE . 66.9 tp -60.76 91.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 64.6 p -140.55 167.56 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.55 -59.65 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.44 -43.13 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.456 ' CD1' ' OD2' ' A' ' 134' ' ' ASP . 65.5 t90 -58.47 -47.25 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 60' ' ' PRO . 11.6 mt -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -54.66 -29.13 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.63 -47.15 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.27 -44.35 88.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.08 -36.85 80.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.524 ' N ' ' HG ' ' A' ' 113' ' ' SER . 56.7 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.775 0.321 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.18 162.26 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.429 ' HB ' HG22 ' A' ' 21' ' ' VAL . 23.1 m -99.48 122.96 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -69.02 122.3 18.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.64 -47.7 10.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -46.64 6.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD21 ' HG2' ' A' ' 40' ' ' MET . 1.9 tp -79.57 -51.62 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.594 HG13 ' CG2' ' A' ' 120' ' ' THR . 40.1 t -41.45 -48.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -46.73 -41.34 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 38.0 mttt -60.64 -52.59 64.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' ' 121' ' ' ALA . 65.7 mt -54.79 -46.92 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -55.11 -35.39 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ARG . 52.9 mmtt -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.956 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -39.2 -55.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -59.82 -46.83 88.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -97.19 32.48 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.2 ptm85 -67.94 125.69 27.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -83.59 40.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -125.45 179.04 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -122.68 -24.94 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -75.04 173.81 10.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -84.07 178.29 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . . . -165.84 168.92 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.34 127.32 9.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.6 mt -115.06 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.685 HD12 ' CG ' ' A' ' 53' ' ' GLU . 23.1 mt -98.91 142.83 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.456 ' HG2' HD21 ' A' ' 20' ' ' LEU . 15.3 mtm -132.92 157.09 45.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.48 156.09 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.8 mt -100.32 131.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.81 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.853 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.3 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.849 0.357 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 117' ' ' LEU . 23.4 t -74.22 112.44 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.4 ' C ' HD22 ' A' ' 20' ' ' LEU . 18.8 m -119.47 167.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.692 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.7 tm? -79.58 127.47 32.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.8 t0 -93.06 -44.95 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.685 ' CG ' HD12 ' A' ' 39' ' ' ILE . 7.7 pt-20 -168.27 173.0 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.438 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.8 mt-10 -140.12 117.06 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.742 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.9 mp -99.36 135.21 41.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 58' ' ' VAL . 35.6 mt-10 -115.27 152.66 32.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.05 59.34 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.742 HG11 ' HB3' ' A' ' 55' ' ' LEU . 23.2 m -116.26 176.97 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -123.1 159.01 56.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -13.91 35.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.06 -26.48 16.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.97 -31.08 12.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.19 -47.7 84.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -51.66 -25.82 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.81 -36.41 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 55' ' ' LEU . 10.3 mm-40 -81.58 15.08 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.6 mt -119.51 150.38 49.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.54 35.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -106.15 15.4 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.02 -30.74 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -121.54 146.0 44.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -133.78 157.46 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.798 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.3 m-85 -98.24 136.98 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.5 mp -148.8 135.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.11 100.08 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -97.67 138.4 35.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 13.7 t -103.88 94.96 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.524 ' HB2' HD21 ' A' ' 140' ' ' LEU . 89.7 t80 -75.35 169.26 18.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 50.9 tttt -112.76 106.0 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.448 ' HD2' HD13 ' A' ' 144' ' ' LEU . 2.5 t80 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.884 0.373 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 1.4 m-85 -106.14 88.74 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 113.25 3.3 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.379 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.956 HD21 ' CG ' ' A' ' 27' ' ' PHE . 6.8 mp -79.86 125.21 29.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.1 m -124.25 152.59 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.889 ' HB2' HD13 ' A' ' 123' ' ' LEU . 13.3 t80 -93.66 115.05 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.01 101.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.75 93.73 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.43 ' HA ' ' CG1' ' A' ' 129' ' ' ILE . 4.4 t -74.35 103.36 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 82.8 p -124.94 101.26 32.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.72 125.61 12.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 130' ' ' ARG . 4.1 t -47.82 -26.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.31 20.92 5.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.4 p -100.39 160.42 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.468 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -91.63 157.04 42.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -49.04 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.6 tp10 -42.64 -25.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -92.94 -49.05 6.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 2.2 mm100 -46.17 -28.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.2 mtm -74.71 -47.36 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ttp -60.14 -36.7 78.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -85.39 -45.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -46.3 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.31 -56.95 14.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 3.9 m -48.14 -38.46 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.881 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.9 ttpt -54.26 -55.57 26.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.02 -63.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.406 ' HE3' HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -45.99 -51.97 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 49' ' ' VAL . 5.6 mt -47.72 -54.54 11.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.4 t -49.68 -21.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -95.75 -34.6 11.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 21' ' ' VAL . 88.1 m -69.75 -41.83 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.832 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -84.12 -4.24 58.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 57.86 46.13 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.889 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.3 mt -95.1 126.24 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -88.29 -39.39 14.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.1 mppt? -94.74 123.14 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.71 114.51 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -117.15 138.45 51.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -118.24 129.4 55.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 135' ' ' LEU . 13.8 pt -105.91 134.92 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.633 ' O ' HG23 ' A' ' 100' ' ' VAL . 27.5 ptt180 -80.56 4.86 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -172.54 129.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 29.5 p -47.57 -30.67 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.89 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.51 -37.43 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 129' ' ' ILE . 28.8 tp -59.63 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.7 p -137.4 171.3 14.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.44 -60.64 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.95 -48.49 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.463 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 60.7 t90 -58.08 -45.08 87.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 79' ' ' TYR . 11.6 tp -51.25 -67.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -49.42 -32.23 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.46 -42.58 92.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -71.08 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.448 HD13 ' HD2' ' A' ' 81' ' ' TYR . 87.0 mt -73.28 -36.33 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.633 ' HB2' HD11 ' A' ' 48' ' ' LEU . 8.2 m-20 -84.16 162.22 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.809 HG21 HG21 ' A' ' 120' ' ' THR . 7.6 m -95.3 116.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -53.26 139.01 30.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -55.25 -39.41 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.59 -29.02 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 11.0 tp -86.44 -52.16 5.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 17' ' ' ALA . 17.6 t -44.41 -54.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.6 -42.1 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.4 mttp -68.47 -43.71 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.48 -47.0 88.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -54.1 -49.25 69.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.2 mmtt -63.06 -42.36 99.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.033 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.96 -54.36 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 122' ' ' GLU . 36.4 mmm-85 -63.21 -49.1 75.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.92 32.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 8.3 ptm180 -63.89 128.36 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 19.84 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.18 -179.39 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -124.1 -28.73 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -69.74 173.84 5.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -77.88 174.79 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.541 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -161.17 159.82 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -157.19 113.89 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 mt -102.94 121.04 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.953 HD12 ' HG3' ' A' ' 53' ' ' GLU . 55.4 mt -100.29 143.46 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.463 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 12.0 mtm -137.59 152.22 49.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 163.42 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.625 HD12 ' CD1' ' A' ' 110' ' ' TYR . 6.2 mt -117.45 140.72 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.822 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 15' ' ' ASP . 1.6 tp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.815 0.341 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 117' ' ' LEU . 10.9 t -67.61 109.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 m -112.28 161.32 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.748 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.3 tm? -67.55 127.94 34.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.537 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.2 t0 -93.54 -45.53 7.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.953 ' HG3' HD12 ' A' ' 39' ' ' ILE . 3.2 pt-20 -171.35 152.44 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -115.78 111.18 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.729 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.0 mp -96.63 129.69 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 58' ' ' VAL . 24.0 mt-10 -113.86 151.66 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.94 56.34 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.729 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.4 m -112.69 173.13 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -117.39 159.89 39.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.457 ' HB3' HD11 ' A' ' 140' ' ' LEU . 53.7 Cg_endo -69.75 -13.99 35.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.741 2.294 . . . . 0.0 112.324 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -29.15 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.48 -29.68 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 75' ' ' ILE . 12.3 tp -62.58 -50.46 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.04 -38.52 88.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.07 14.23 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.478 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.4 mt -116.26 144.69 33.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.431 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.68 129.99 18.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -98.36 1.99 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -113.56 -25.57 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -129.23 148.63 69.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.554 0.692 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.76 134.38 27.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.431 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 16.3 tpp180 -139.12 156.63 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.762 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.8 m-85 -98.16 139.35 34.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -148.36 132.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 60.2 t -116.44 99.9 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -104.69 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.459 ' OG ' HD22 ' A' ' 92' ' ' LEU . 27.3 t -126.13 95.07 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 55.7 t80 -63.58 167.34 5.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.8 tttt -112.74 94.29 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.406 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 9.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -118.96 92.05 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.9 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.77 123.49 10.15 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.628 2.218 . . . . 0.0 112.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.033 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.57 124.04 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' HD21 ' A' ' 144' ' ' LEU . 14.2 m -127.43 159.57 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.795 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -107.03 111.17 23.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.7 mt -97.8 102.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -84.37 90.99 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.1 p -70.17 107.85 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' ARG . 3.3 t -127.69 101.58 23.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 54.0 Cg_endo -69.75 119.26 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.5 m -42.69 -32.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.72 2.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.66 160.61 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.4 ptmt -89.95 154.7 47.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -42.77 -30.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.7 mm100 -90.06 -49.62 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -40.35 -35.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.5 mtm -78.66 -35.09 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.685 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 50.6 ttp -62.21 -35.7 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.685 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 76.1 m-85 -94.86 -40.02 9.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.8 -7.6 12.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -110.83 -20.73 12.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.871 -179.766 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.549 ' HA ' HD22 ' A' ' 117' ' ' LEU . 11.5 ttpt -63.59 -54.72 31.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.2 t-20 -31.91 -56.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' ' 16' ' ' VAL . 4.9 tttt -46.91 -54.57 9.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -46.13 -56.33 5.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -45.15 -27.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -90.55 -36.22 14.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.809 HG21 HG21 ' A' ' 16' ' ' VAL . 79.0 m -63.0 -47.43 83.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.11 -2.05 50.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.411 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 15.2 mt-10 59.1 47.47 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.2 mt -95.96 137.51 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.5 p -101.65 -25.33 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.1 mppt? -105.23 120.76 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.64 113.4 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 6.8 m-85 -118.62 141.86 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -122.62 127.38 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.527 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 10.8 pt -103.69 129.42 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.431 ' HD2' ' CG ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -59.52 -30.88 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.431 ' CG ' ' HD2' ' A' ' 130' ' ' ARG . 6.2 m-20 -145.9 137.57 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.4 p -48.31 -31.27 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.26 -40.98 75.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.33 -37.55 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 18.8 tp -55.57 96.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.83 175.24 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.57 -61.54 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -50.83 -38.82 51.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.527 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 75.0 t90 -62.87 -44.92 94.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 60' ' ' PRO . 12.1 mt -53.01 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -55.21 -21.36 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.82 -42.3 63.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.17 -37.57 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.414 HD21 ' SG ' ' A' ' 93' ' ' CYS . 42.9 mt -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.868 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.818 0.342 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -108.66 148.27 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.523 HG12 HD22 ' A' ' 117' ' ' LEU . 29.4 m -80.75 126.12 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.59 136.0 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.34 -47.58 65.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -30.53 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.882 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.4 OUTLIER -81.19 -54.72 5.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 17' ' ' ALA . 24.5 t -41.74 -50.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.6 pt-20 -45.35 -43.53 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 42.0 mttt -64.45 -49.56 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 121' ' ' ALA . 82.1 mt -56.96 -44.71 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -52.99 -48.13 67.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.8 mmtt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.878 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.78 -52.66 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.66 -47.35 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -94.08 33.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.9 ptm180 -69.09 121.72 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.79 42.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.5 mm-40 -124.91 177.22 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.0 m -113.56 -42.74 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 8.0 p-80 -55.41 179.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -89.33 -178.91 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.89 159.71 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -155.05 123.25 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.521 HD12 ' HD2' ' A' ' 27' ' ' PHE . 30.7 mt -113.43 125.11 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.844 HD12 ' HG3' ' A' ' 53' ' ' GLU . 7.8 mt -108.53 141.88 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.882 ' HG2' HD11 ' A' ' 20' ' ' LEU . 11.2 mtm -129.49 165.56 21.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.22 160.26 32.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.94 149.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.9 t70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.2 tp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.89 0.376 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.555 HG21 HD21 ' A' ' 117' ' ' LEU . 61.3 t -80.92 111.92 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.81 152.25 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.692 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.5 tm? -61.61 126.56 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.5 t0 -87.26 -48.79 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.844 ' HG3' HD12 ' A' ' 39' ' ' ILE . 6.1 pt-20 -171.38 159.52 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.444 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -120.51 119.66 33.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB3' HG11 ' A' ' 58' ' ' VAL . 13.5 mt -107.15 138.18 43.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 57' ' ' GLY . 5.3 mp0 -120.46 155.55 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.87 60.12 0.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 55' ' ' LEU . 15.0 m -114.77 -179.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -126.85 159.76 62.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.4 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -23.1 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.13 -31.89 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.704 HD21 HG21 ' A' ' 75' ' ' ILE . 16.6 tp -57.95 -55.63 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.733 ' HB3' HD23 ' A' ' 135' ' ' LEU . 5.2 pttp -46.48 -28.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.58 -36.04 81.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' HD23 ' A' ' 67' ' ' LEU . 7.0 mm-40 -85.25 18.86 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 66' ' ' GLU . 17.2 mt -124.35 150.82 65.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 144.53 54.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -112.29 9.51 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -119.39 -28.64 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -126.49 150.63 71.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.8 Cg_endo -69.82 135.66 30.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -137.1 156.64 48.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.778 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.2 m-85 -98.7 137.95 36.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.778 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.9 mp -148.64 140.88 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.0 t -126.95 99.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -103.2 157.84 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.4 t -129.27 94.93 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.561 ' HB2' HD21 ' A' ' 140' ' ' LEU . 46.8 t80 -64.89 170.63 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.5 tttt -116.79 95.63 5.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.526 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -111.45 92.51 16.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.925 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.1 Cg_endo -69.71 120.86 7.59 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.878 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.58 124.3 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.4 m -129.92 152.55 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.882 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.3 t80 -98.98 111.21 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.4 HD13 ' CD1' ' A' ' 135' ' ' LEU . 70.4 mt -97.83 100.99 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.8 96.07 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 t -74.84 103.03 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.1 p -122.66 101.49 39.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.684 0.754 . . . . 0.0 110.806 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.8 Cg_endo -69.81 129.23 17.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.08 -32.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 24.92 2.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.3 p -96.45 156.51 16.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -93.64 158.09 37.25 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.244 . . . . 0.0 112.372 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -42.58 -29.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.413 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 9.7 mm100 -91.5 -47.81 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 3.9 mm100 -44.33 -35.4 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.1 mtm -71.36 -41.61 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.6 ttp -61.74 -46.55 89.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 85.7 m-85 -77.68 -43.8 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -47.86 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.75 -57.53 12.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.2 m -48.04 -40.34 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 14.5 ttpt -51.17 -57.57 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.68 -61.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -48.85 -48.48 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 49' ' ' VAL . 7.0 mt -51.96 -52.29 51.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.9 t -51.07 -21.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -91.36 -36.19 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.527 ' CG2' HG13 ' A' ' 21' ' ' VAL . 26.3 m -68.69 -45.68 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.496 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -80.3 -3.4 49.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 56.42 53.62 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.882 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.6 mt -101.71 126.71 48.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -88.13 -44.54 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 127.36 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.61 118.13 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -122.25 143.95 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.65 130.02 52.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.0 pt -106.9 131.85 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 26.0 ptt-85 -67.46 -23.75 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -144.89 130.26 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 35.7 p -45.25 -33.9 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -58.47 -41.16 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -47.0 -44.7 20.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 64' ' ' LYS . 28.5 tp -53.59 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.5 p -142.13 154.1 44.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -40.48 -47.98 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -62.14 -57.92 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.459 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 22.5 t90 -49.11 -42.78 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 79' ' ' TYR . 14.2 tp -54.64 -62.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -54.99 -26.43 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -63.9 -47.4 80.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.76 -43.52 98.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.08 -36.49 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 46.7 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.831 0.348 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.454 ' HB2' HD21 ' A' ' 48' ' ' LEU . 5.3 m-20 -114.55 172.21 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG21 HG21 ' A' ' 120' ' ' THR . 27.6 m -101.59 129.04 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -67.36 137.63 56.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.39 -43.08 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.19 -23.8 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.663 HD11 ' HG2' ' A' ' 40' ' ' MET . 1.5 tt -87.26 -55.28 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.416 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.6 t -44.0 -52.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.9 pt-20 -40.5 -46.29 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 52.0 mttt -61.5 -56.21 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 121' ' ' ALA . 66.3 mt -49.69 -42.87 46.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -56.01 -45.83 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.1 mmtt -67.38 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.989 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -46.13 -53.78 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -63.38 -46.96 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.72 28.51 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.0 ptm180 -64.66 125.79 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -85.38 -5.01 59.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.41 167.95 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 m -110.02 -38.88 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -64.82 173.43 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.44 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.8 m120 -78.29 179.44 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.33 160.95 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -153.04 114.28 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' OE2' ' A' ' 54' ' ' GLU . 5.4 mt -103.81 120.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.846 HD12 ' CG ' ' A' ' 53' ' ' GLU . 20.2 mt -99.83 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.663 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.6 mtm -137.02 144.26 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.809 ' HE3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -130.45 170.43 14.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.58 HG12 HG22 ' A' ' 49' ' ' VAL . 42.8 mt -127.19 132.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.58 HG22 HG12 ' A' ' 42' ' ' ILE . 17.7 t -68.36 122.11 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.809 HG23 ' HE3' ' A' ' 41' ' ' LYS . 27.2 m -129.47 154.29 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.685 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.6 tm? -57.82 136.08 56.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.578 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.2 t0 -103.97 -47.1 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.846 ' CG ' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 -171.97 152.88 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' OE2' HD11 ' A' ' 38' ' ' ILE . 8.1 mt-10 -117.66 120.37 37.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.825 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.7 mt -103.26 129.11 50.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -114.32 147.93 38.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.66 54.03 8.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.825 HG11 ' HB3' ' A' ' 55' ' ' LEU . 13.1 m -111.81 174.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -119.44 158.34 49.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.899 ' HB3' HD23 ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.72 -13.54 34.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.84 -25.67 17.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.96 -29.08 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.474 HD11 HG21 ' A' ' 75' ' ' ILE . 47.1 tp -54.13 -54.5 38.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.25 -28.74 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.41 -31.15 71.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.21 -1.16 57.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 75' ' ' ILE . 32.1 mt -103.0 149.64 37.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 132.87 24.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -101.66 19.51 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -129.39 -30.83 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -127.25 149.9 70.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.2 Cg_endo -69.77 134.54 28.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 13.2 tpp180 -137.82 157.11 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.787 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.8 m-85 -98.72 138.67 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.807 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -149.03 134.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.52 100.51 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 64.0 t80 -101.9 158.99 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.3 t -134.1 95.07 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 86.8 t80 -72.44 165.31 24.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 58.4 tttt -109.27 106.09 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.5 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.601 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 92.33 5.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.721 0.772 . . . . 0.0 110.928 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 121.3 8.01 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.29 . . . . 0.0 112.357 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.989 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.2 mm? -77.7 126.18 30.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.4 m -128.84 153.67 47.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.737 ' HB2' HD13 ' A' ' 123' ' ' LEU . 8.7 t80 -104.18 107.94 19.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.83 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -83.74 91.44 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.51 108.23 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.4 p -127.48 100.97 25.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 102' ' ' CYS . 53.9 Cg_endo -69.71 132.46 23.46 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 130' ' ' ARG . 5.0 t -50.96 -30.23 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.59 22.72 4.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 99' ' ' PRO . 31.2 p -92.11 159.09 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.5 ptmt -95.73 154.92 39.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.59 0.709 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.19 2.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.303 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -48.16 -28.27 2.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 24.4 mm-40 -93.83 -43.96 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -44.37 -34.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.34 -34.2 61.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.627 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 58.4 ttp -68.5 -37.2 79.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.627 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 83.2 m-85 -88.11 -31.93 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -64.07 -67.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.94 -30.08 59.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 m -77.06 -40.85 44.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.955 0.407 . . . . 0.0 110.849 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.8 ttpt -49.52 -56.71 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.88 -65.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -44.33 -48.66 9.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.83 -55.0 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 74.6 t -49.83 -19.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -95.9 -34.63 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.461 HG21 HG21 ' A' ' 16' ' ' VAL . 97.6 m -66.46 -42.9 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -87.25 -4.61 59.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 57.86 50.67 10.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.0 mt -95.99 137.28 35.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.1 p -93.83 -50.44 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.0 mppt? -84.4 130.25 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.12 108.47 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 143' ' ' LYS . 2.6 m-85 -110.55 145.08 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -127.87 131.6 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 8.3 pt -111.32 135.38 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 100' ' ' VAL . 7.1 ppt_? -82.61 4.47 24.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.589 ' ND2' ' CZ ' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -165.6 119.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.4 p -41.08 -33.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.51 -44.74 81.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.562 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.5 t70 -47.53 -41.48 21.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -57.36 97.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.0 p -142.07 170.57 15.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.88 -62.78 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -49.82 -52.0 35.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.562 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 59.0 t90 -54.57 -38.49 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.899 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -51.5 -60.0 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -61.6 -28.48 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.67 -49.59 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.579 ' HB2' ' CE2' ' A' ' 127' ' ' PHE . 6.6 mmmt -64.06 -40.37 96.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.0 mt -66.78 -33.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.903 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.815 0.341 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB2' HD11 ' A' ' 48' ' ' LEU . 4.8 m-20 -107.86 170.0 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.498 ' CG1' HD12 ' A' ' 117' ' ' LEU . 28.1 m -104.87 127.47 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.11 132.82 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.62 -47.36 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -53.43 -31.92 47.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.1 OUTLIER -78.86 -56.69 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.688 HG13 ' CG2' ' A' ' 120' ' ' THR . 4.0 t -45.13 -57.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 -39.14 -36.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -72.31 -39.58 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 121' ' ' ALA . 69.9 mt -67.72 -46.11 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -52.42 -44.3 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.8 mmtp -62.18 -42.4 99.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.985 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -44.68 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.66 -44.36 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -104.25 38.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' LYS . 10.0 ptm180 -67.09 145.25 55.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -97.75 23.57 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 7.0 mm-40 -111.57 175.66 5.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -125.26 -12.19 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 2.3 p-80 -84.33 168.88 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -69.04 175.22 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -166.58 167.38 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -160.32 123.53 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.735 HG23 ' CD2' ' A' ' 51' ' ' LEU . 11.4 mt -110.11 121.21 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' HD22 ' A' ' 51' ' ' LEU . 43.7 mt -103.93 128.5 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.812 ' HG2' HD11 ' A' ' 20' ' ' LEU . 12.4 mtm -119.87 144.04 47.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.737 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.24 163.78 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.484 HD12 ' HE3' ' A' ' 109' ' ' MET . 3.4 mt -114.28 146.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 15' ' ' ASP . 7.3 tp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.825 0.345 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 117' ' ' LEU . 21.1 t -69.76 127.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.737 HG23 ' HD3' ' A' ' 41' ' ' LYS . 14.7 m -134.94 166.98 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.735 ' CD2' HG23 ' A' ' 38' ' ' ILE . 3.2 tm? -84.35 117.32 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.45 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 t0 -78.94 -41.99 28.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.632 ' OE2' HD21 ' A' ' 55' ' ' LEU . 9.8 pt-20 -172.89 159.51 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -122.07 126.49 48.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.754 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.0 mt -109.58 140.2 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 58' ' ' VAL . 50.8 mt-10 -121.24 154.23 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 40.25 50.63 3.66 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.754 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.2 m -110.88 172.86 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.159 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.09 161.18 41.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.8 31.57 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -94.61 -25.09 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.13 -27.04 14.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 55' ' ' LEU . 20.1 tp -64.47 -49.63 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -49.8 -33.27 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.76 -34.27 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -85.74 13.13 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.493 ' CD2' HG12 ' A' ' 75' ' ' ILE . 51.5 mt -114.73 148.71 40.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 123.37 10.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -94.83 10.77 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -122.99 -32.25 3.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -121.79 147.35 48.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.722 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 133.84 26.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -141.43 157.26 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.797 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.2 m-85 -98.21 138.75 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.798 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -148.45 129.06 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.597 HG23 ' HE2' ' A' ' 40' ' ' MET . 53.8 t -113.98 99.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -92.77 144.06 25.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.603 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 35.9 t -113.03 94.95 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 81.5 t80 -80.16 170.56 16.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 44.9 tttt -115.61 115.93 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.931 0.396 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.8 OUTLIER -106.82 86.87 2.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.35 5.03 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.985 HD21 ' CD1' ' A' ' 27' ' ' PHE . 6.5 mp -81.62 124.67 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.411 ' SG ' HD21 ' A' ' 144' ' ' LEU . 63.7 m -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.761 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.2 t80 -111.29 104.21 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mt -93.74 100.92 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -81.33 97.99 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.5 t -80.46 98.83 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.9 p -118.32 101.18 51.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.7 Cg_endo -69.77 114.9 3.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 130' ' ' ARG . 6.9 t -42.19 -25.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.7 15.89 9.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 99' ' ' PRO . 29.5 p -96.61 161.75 13.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.448 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.88 155.96 52.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.59 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.448 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.9 tp10 -44.75 -28.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' MET . 6.6 mm100 -91.62 -47.71 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 3.1 mm100 -42.73 -33.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.3 mtm -72.21 -38.95 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.658 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 51.1 ttp -64.92 -44.09 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.658 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 75.1 m-85 -80.57 -41.18 24.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -48.49 -70.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.96 -56.52 23.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -46.91 -40.5 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.0 ttpt -49.69 -63.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.21 -54.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.71 -53.57 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -47.67 -52.02 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.39 -23.24 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -94.5 -34.07 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.688 ' CG2' HG13 ' A' ' 21' ' ' VAL . 4.6 m -66.48 -40.65 89.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.626 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -90.44 -3.63 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.7 48.11 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.761 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.9 mt -93.83 147.61 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -113.85 -31.1 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -99.26 113.25 25.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.6 t -120.84 113.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.1 m-85 -121.19 142.81 49.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -122.26 138.09 54.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 135' ' ' LEU . 15.5 pt -117.29 135.86 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.62 ' NE ' HD21 ' A' ' 131' ' ' ASN . 17.2 ptt180 -66.95 -30.2 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.62 HD21 ' NE ' ' A' ' 130' ' ' ARG . 1.0 OUTLIER -146.12 144.17 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.0 p -53.61 -32.15 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -60.95 -20.76 62.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -76.03 -35.19 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.573 ' HB2' HD13 ' A' ' 129' ' ' ILE . 13.4 tp -63.72 86.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.9 p -125.75 166.88 16.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.8 -55.75 18.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.57 -52.39 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 32.7 t90 -54.16 -38.53 65.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 79' ' ' TYR . 18.4 tp -58.26 -70.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.56 -29.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.43 -41.47 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.93 -39.25 87.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.411 HD21 ' SG ' ' A' ' 93' ' ' CYS . 65.1 mt -66.7 -36.4 82.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 100.0 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 3.1 m-20 -103.11 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG12 HD22 ' A' ' 117' ' ' LEU . 34.3 m -97.2 126.03 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.764 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -69.38 127.09 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.21 -39.7 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -34.75 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tp -81.88 -51.43 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 HG21 ' A' ' 120' ' ' THR . 39.1 t -45.34 -55.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 7.7 pt-20 -42.39 -42.14 3.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 25.4 mttp -68.46 -45.93 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 121' ' ' ALA . 67.3 mt -59.93 -45.62 92.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 37.2 mtm180 -54.59 -42.57 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 29.4 mmtt -64.21 -37.38 87.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 1.025 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -51.26 -42.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -74.39 -35.38 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.0 m-85 -109.17 37.51 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -86.96 150.17 24.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -114.68 44.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.0 mm-40 -116.5 126.4 53.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.6 m -65.57 -47.98 73.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 9.1 p-80 -56.56 174.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -89.31 -177.61 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.49 165.91 16.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.61 128.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.498 HD12 ' HD2' ' A' ' 27' ' ' PHE . 12.9 mt -113.68 115.25 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 22.3 mt -99.86 148.26 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.431 ' CE ' HG23 ' A' ' 76' ' ' VAL . 15.1 mtm -139.14 161.71 36.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HE2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -157.3 169.6 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.527 HD12 ' HE3' ' A' ' 109' ' ' MET . 15.4 mt -118.36 136.3 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.764 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.6 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.899 0.381 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 t -76.44 118.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.7 m -124.68 157.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 52' ' ' ASP . 1.4 tm? -73.13 123.64 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.591 ' N ' HD22 ' A' ' 51' ' ' LEU . 11.7 t0 -83.71 -46.18 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.529 ' OE1' HD21 ' A' ' 55' ' ' LEU . 6.6 pt-20 -166.5 162.09 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.08 115.55 22.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.583 ' HB3' HG11 ' A' ' 58' ' ' VAL . 24.8 mt -96.1 145.77 25.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.04 153.1 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.12 52.96 6.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.583 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.2 m -113.65 175.17 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -124.23 161.64 46.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HB3' HD22 ' A' ' 140' ' ' LEU . 53.9 Cg_endo -69.75 -17.68 37.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' HG22 ' A' ' 136' ' ' THR . 4.1 m-20 -95.23 -21.7 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -97.37 -34.35 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.471 HD13 HD12 ' A' ' 55' ' ' LEU . 11.4 tp -58.49 -50.83 72.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -47.2 -26.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -68.27 -38.8 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -81.52 15.43 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 75' ' ' ILE . 55.0 mt -120.01 151.76 53.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.24 56.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.264 . . . . 0.0 112.36 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -114.29 9.08 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 16.8 mtm105 -125.47 -25.61 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -124.93 145.26 49.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.73 135.1 29.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -142.57 157.43 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.859 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.7 m-85 -97.93 139.06 34.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.859 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.43 125.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.431 HG23 ' CE ' ' A' ' 40' ' ' MET . 51.1 t -113.06 99.64 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -95.48 150.75 19.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.607 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 43.4 t -117.34 94.99 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 93.0 t80 -75.21 169.3 18.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 52.3 tttt -114.5 105.37 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 25.6 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 1.3 m-30 -105.43 90.37 3.94 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.67 0.747 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 89' ' ' SER . 53.5 Cg_endo -69.78 120.29 7.1 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.025 HD21 ' CD1' ' A' ' 27' ' ' PHE . 6.3 mp -88.8 128.28 35.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -124.09 166.26 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 11.1 t80 -107.4 107.51 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 mt -96.92 101.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -80.48 91.77 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.4 t -72.17 96.64 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.4 p -118.24 101.4 51.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.8 115.43 4.09 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 100' ' ' VAL . 13.8 t -39.56 -27.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -78.97 17.65 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -95.71 161.92 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -92.1 156.18 42.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.707 . . . . 0.0 110.87 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -49.32 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -42.68 -26.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -92.63 -49.69 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.0 mm100 -42.9 -34.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.98 -39.11 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.652 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 29.7 ttp -62.61 -41.37 98.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.652 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 65.0 m-85 -84.96 -44.2 13.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -42.68 -70.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.17 -57.8 6.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 p -48.86 -41.21 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ttpp -50.29 -62.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -34.57 -56.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.425 ' HE2' HG22 ' A' ' 16' ' ' VAL . 6.6 tttt -53.86 -50.21 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.637 HD22 HG12 ' A' ' 16' ' ' VAL . 5.5 mt -48.77 -49.42 38.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.405 HG21 HG21 ' A' ' 126' ' ' VAL . 47.7 t -54.71 -20.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -93.39 -33.34 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.527 HG21 HG22 ' A' ' 21' ' ' VAL . 27.6 m -70.96 -45.65 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -79.96 -3.39 48.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 43.46 20.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.8 mt -93.9 135.75 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.5 p -98.65 -35.11 10.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -93.12 121.65 34.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.419 HG11 ' NZ ' ' A' ' 114' ' ' LYS . 60.4 t -130.84 114.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 2.8 m-85 -120.97 152.82 38.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -129.25 140.56 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.531 HD13 ' HB2' ' A' ' 135' ' ' LEU . 18.0 pt -116.71 133.47 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.484 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 16.9 ptt180 -66.2 -29.72 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.484 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 4.0 m-80 -149.22 134.27 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.2 p -42.27 -30.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.77 -43.48 80.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.597 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.43 -39.13 69.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.531 ' HB2' HD13 ' A' ' 129' ' ' ILE . 54.2 tp -55.9 86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' ASP . 80.3 p -132.32 170.6 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -58.8 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -51.12 -46.21 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.597 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 36.8 t90 -61.63 -44.27 97.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 79' ' ' TYR . 12.0 tp -54.66 -65.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -48.42 -32.42 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.36 -49.0 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.96 -38.35 90.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.7 mt -74.02 -29.8 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.776 ' N ' ' HG ' ' A' ' 113' ' ' SER . 72.1 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.793 0.33 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.453 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.4 m-20 -109.23 157.97 18.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.605 HG22 ' HE2' ' A' ' 116' ' ' LYS . 33.8 m -95.44 116.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.844 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -62.82 124.26 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -45.06 -45.78 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -38.49 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.638 ' CD2' HG12 ' A' ' 49' ' ' VAL . 11.8 tp -79.64 -53.53 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.534 HG12 ' HE ' ' A' ' 25' ' ' ARG . 93.1 t -39.41 -60.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' VAL . 5.9 pt-20 -37.34 -38.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -66.95 -43.16 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 21' ' ' VAL . 77.6 mt -63.55 -44.61 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HE ' HG12 ' A' ' 21' ' ' VAL . 29.9 mtt180 -51.59 -49.58 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.7 mmtt -62.11 -36.71 82.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.863 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.86 -46.83 68.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.45 -43.25 70.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.23 37.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -80.73 141.18 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -107.79 41.49 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 9.6 mm-40 -115.78 132.47 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -69.1 -46.21 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 15.3 p-80 -58.02 175.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -88.21 -176.67 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -165.63 163.14 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -156.32 121.38 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' HD2' ' A' ' 27' ' ' PHE . 17.9 mt -110.79 119.22 59.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.944 HD12 ' CG ' ' A' ' 53' ' ' GLU . 21.8 mt -97.87 140.53 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 12.0 mtm -134.46 142.46 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB3' ' NE ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -133.2 163.74 28.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -108.03 130.32 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.894 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.844 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.9 tp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.885 0.374 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.638 HG12 ' CD2' ' A' ' 20' ' ' LEU . 39.7 t -68.23 113.22 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.1 m -121.89 159.34 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.778 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.2 tm? -64.14 125.75 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.521 ' N ' HD13 ' A' ' 51' ' ' LEU . 7.2 t0 -93.44 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.944 ' CG ' HD12 ' A' ' 39' ' ' ILE . 7.0 pt-20 -174.43 160.0 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.53 122.07 37.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD21 ' OE1' ' A' ' 53' ' ' GLU . 21.7 mt -106.54 149.18 27.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -134.1 148.12 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.21 56.07 5.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG11 ' HB3' ' A' ' 55' ' ' LEU . 17.3 m -113.62 -179.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -124.04 158.98 58.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HB3' HD22 ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.71 -16.65 37.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.39 -23.4 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -94.56 -27.97 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.5 HD21 HG21 ' A' ' 75' ' ' ILE . 24.3 tp -61.43 -48.82 79.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.85 ' HB3' HD23 ' A' ' 135' ' ' LEU . 6.4 pttt -51.71 -33.45 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.55 -32.1 73.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.42 13.21 14.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 75' ' ' ILE . 81.1 mt -114.96 152.46 46.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.09 15.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.64 15.86 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 19.1 mtm105 -126.21 -30.81 2.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -125.91 145.68 52.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.582 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.452 ' NE ' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -129.2 158.86 37.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.809 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.1 m-85 -99.45 139.27 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.809 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -148.86 137.95 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.407 HG23 ' HE2' ' A' ' 40' ' ' MET . 92.7 t -119.31 101.43 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -100.17 160.18 14.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -133.49 95.07 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB2' HD21 ' A' ' 140' ' ' LEU . 79.7 t80 -72.89 169.07 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.7 tttt -111.21 107.86 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -112.72 92.51 20.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.76 . . . . 0.0 110.948 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.6 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.863 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.8 mm? -77.75 124.42 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . 0.602 ' SG ' HD21 ' A' ' 144' ' ' LEU . 84.8 m -124.07 155.29 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.908 ' HB2' HD13 ' A' ' 123' ' ' LEU . 33.9 t80 -105.31 110.22 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.658 HG21 HD13 ' A' ' 135' ' ' LEU . 39.7 mt -100.68 105.52 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -85.11 90.18 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -67.96 100.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.7 p -121.54 101.69 43.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 123.54 10.23 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 130' ' ' ARG . 27.5 m -45.14 -31.61 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.26 26.3 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.53 161.82 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -95.51 159.46 32.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 108' ' ' MET . 54.0 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -43.06 -30.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -91.26 -47.52 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.5 mm100 -44.47 -37.6 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 0.9 OUTLIER -68.02 -51.66 44.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.7 ttp -56.63 -49.02 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 82.2 m-85 -71.78 -40.66 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.04 -55.38 28.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.776 ' HG ' ' N ' ' A' ' 14' ' ' CYS . 37.7 m -50.13 -41.74 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 18.6 ttpt -49.68 -57.93 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -36.84 -62.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.605 ' HE2' HG22 ' A' ' 16' ' ' VAL . 15.7 tttt -43.48 -48.97 7.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 49' ' ' VAL . 6.5 mt -50.89 -54.38 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.08 -18.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -95.85 -34.58 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.457 HG21 HG22 ' A' ' 21' ' ' VAL . 39.3 m -69.6 -46.54 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.27 -11.37 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 62.01 52.58 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.908 HD13 ' HB2' ' A' ' 94' ' ' PHE . 14.2 mt -91.86 162.58 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.0 p -125.75 -18.45 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -125.34 87.6 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.4 p -106.42 102.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 4.9 m-85 -95.65 165.08 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.29 132.81 30.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 pt -113.77 135.9 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.825 ' O ' HG13 ' A' ' 100' ' ' VAL . 4.6 ptt-85 -83.18 6.14 20.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -169.37 128.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.5 p -50.25 -33.91 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.84 -40.82 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -53.43 -37.78 62.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.85 HD23 ' HB3' ' A' ' 64' ' ' LYS . 16.5 tp -57.18 95.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.9 p -140.21 165.19 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -50.51 -55.72 14.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.07 -49.01 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . 0.473 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 48.8 t90 -54.13 -47.54 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 79' ' ' TYR . 10.1 tp -49.42 -59.69 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -58.76 -28.81 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.75 -45.32 93.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.602 HD21 ' SG ' ' A' ' 93' ' ' CYS . 69.4 mt -70.6 -35.71 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -98.18 84.63 3.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 110.842 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 t -115.89 135.66 53.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.49 71.46 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.1 t -67.68 147.49 52.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.909 0.385 . . . . 0.0 110.834 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 m -102.18 -55.13 2.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.5 160.82 34.47 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -103.8 145.94 29.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 -95.32 88.28 5.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.1 t -165.11 124.58 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.1 mt -106.37 150.76 25.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -116.76 97.68 5.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -103.01 152.24 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 8.7 m -138.16 -179.47 5.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.4 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.1 m-20 -109.84 162.88 14.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.515 HG21 ' OG1' ' A' ' 120' ' ' THR . 8.5 m -92.41 126.62 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -68.89 134.03 49.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.11 -36.6 51.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -29.23 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.465 HD13 ' HG2' ' A' ' 40' ' ' MET . 4.1 tp -92.26 -50.4 5.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 120' ' ' THR . 21.2 t -43.65 -53.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.457 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 5.0 pt-20 -43.11 -45.44 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.463 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 27.3 mttp -62.66 -47.8 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD13 ' HB2' ' A' ' 121' ' ' ALA . 81.4 mt -57.04 -47.22 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -53.58 -47.7 69.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' ARG . 28.9 mmtt -63.51 -40.12 96.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.965 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.56 -55.54 5.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -62.59 -46.45 88.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.799 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -93.79 32.28 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.634 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 9.5 ptm180 -67.09 136.33 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.79 21.28 13.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -98.48 176.55 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 96.1 m -115.02 -37.19 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -68.22 179.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 4.9 m120 -85.04 -179.99 7.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.634 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -162.2 159.89 26.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.604 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.87 119.62 6.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.86 119.29 59.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.938 HD12 ' HG3' ' A' ' 53' ' ' GLU . 22.3 mt -100.22 149.26 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.465 ' HG2' HD13 ' A' ' 20' ' ' LEU . 14.2 mtm -140.38 151.59 45.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -144.82 163.2 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.4 mt -117.03 139.83 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -99.75 168.88 9.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -85.47 -32.7 22.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -96.07 -40.37 9.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' C ' ' A' ' 47' ' ' ARG . 4.5 mm-40 -70.39 -21.58 62.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' CD ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.14 37.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.8 tp -146.83 136.57 23.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG21 HD21 ' A' ' 117' ' ' LEU . 17.3 t -67.99 118.43 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.9 m -121.06 164.0 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.771 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.9 tm? -68.8 126.3 29.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.472 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.6 t0 -91.93 -45.11 8.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.938 ' HG3' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 -175.14 159.06 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -125.95 125.05 42.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.645 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.1 mp -104.96 154.08 20.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -134.18 144.29 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 43.18 53.96 5.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.645 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.5 m -110.84 173.43 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 111.134 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -116.89 158.87 42.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.67 0.748 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.888 ' HB3' HD23 ' A' ' 140' ' ' LEU . 53.8 Cg_endo -69.75 -13.89 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.683 2.256 . . . . 0.0 112.389 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -94.86 -26.05 16.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -94.62 -27.98 15.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 75' ' ' ILE . 22.9 tp -58.79 -51.62 69.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -47.34 -29.86 2.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -63.04 -39.09 93.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -80.38 12.29 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD2' HG12 ' A' ' 75' ' ' ILE . 17.5 mt -116.76 150.33 45.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 141.58 45.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -108.25 18.3 21.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 -131.06 -36.42 1.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -118.98 148.14 44.03 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.622 0.725 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.81 132.68 23.76 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.359 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 14.5 tpp180 -135.45 157.85 45.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.86 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.2 m-85 -97.98 139.12 34.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.86 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -149.47 125.8 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.1 t -108.57 99.87 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.178 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 83.4 t80 -101.77 158.44 16.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.8 t -132.08 95.26 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.501 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 79.1 t80 -68.53 168.46 12.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.0 tttt -114.79 99.4 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -90.64 96.0 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 29.3 tp60 -80.67 143.51 32.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -109.78 132.78 53.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 85' ' ' ASP . 8.0 t0 -39.4 -55.82 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 84' ' ' ASP . 11.3 t0 -37.02 -41.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.78 -26.47 2.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.491 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 87' ' ' ARG . 10.2 ttm105 -76.03 145.94 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.432 HG21 ' CE ' ' A' ' 80' ' ' LYS . 2.4 p -142.43 129.74 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p -124.48 152.2 43.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -106.83 93.04 8.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.919 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.8 Cg_endo -69.69 121.66 8.36 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.965 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.1 mm? -77.73 126.22 30.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.479 ' SG ' HD21 ' A' ' 144' ' ' LEU . 3.2 m -131.8 154.59 48.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.867 ' HB2' HD13 ' A' ' 123' ' ' LEU . 5.2 t80 -105.23 115.49 30.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 135' ' ' LEU . 35.9 mt -102.28 101.98 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -78.61 88.74 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.03 101.67 1.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 89.1 p -124.25 101.32 34.86 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.65 0.738 . . . . 0.0 110.876 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.7 Cg_endo -69.83 128.61 16.2 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 130' ' ' ARG . 3.5 t -50.73 -26.09 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.46 20.73 5.79 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.7 p -99.62 159.62 14.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.833 0.349 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.444 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 1.6 pttt -92.33 156.59 41.55 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -42.9 2.95 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.294 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.444 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 2.9 tp10 -48.14 -26.47 1.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -93.78 -41.21 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 1.6 mm100 -50.8 -37.23 41.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.4 mtm -63.26 -40.87 98.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.535 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 63.4 ttp -64.95 -56.82 10.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.535 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.9 m-85 -66.06 -33.13 75.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -61.4 -63.96 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.68 -33.19 84.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.9 m -71.57 -40.42 69.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.973 0.416 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.5 ttpt -49.65 -60.66 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.438 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.7 -62.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -45.7 -51.2 12.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.417 HD11 ' CD2' ' A' ' 74' ' ' PHE . 7.0 mt -48.9 -55.85 10.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.6 -23.88 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -89.1 -35.72 16.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.643 HG23 HG13 ' A' ' 21' ' ' VAL . 2.8 m -67.74 -49.94 59.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.172 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.598 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -79.59 -4.84 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 57.89 46.29 17.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.867 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.1 mt -90.68 132.91 35.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 69.0 p -91.88 -41.39 10.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 1.9 mppt? -93.48 127.34 39.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 27.4 t -133.0 106.93 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.481 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -112.45 152.98 28.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -129.94 141.9 50.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 5.6 pt -119.25 136.55 56.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.06 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 100' ' ' VAL . 34.3 ptt180 -76.71 -10.08 59.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.52 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.4 OUTLIER -156.83 131.47 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 9.4 p -50.23 -31.32 13.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -59.46 -41.36 89.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -52.06 -40.64 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.463 HD13 HG21 ' A' ' 95' ' ' ILE . 59.7 tp -58.43 95.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 54.2 p -138.77 174.12 10.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -54.77 -58.98 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.439 ' C ' ' CD ' ' A' ' 138' ' ' GLU . 1.4 tm-20 -52.38 -57.38 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 21.6 t90 -51.7 -29.49 18.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.888 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -61.94 -62.58 1.69 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -58.76 -20.47 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -66.43 -44.77 81.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 139' ' ' TRP . 0.0 OUTLIER -67.96 -41.27 82.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.479 HD21 ' SG ' ' A' ' 93' ' ' CYS . 54.1 mt -69.03 -28.13 66.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -77.36 -53.22 5.23 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.2 t -124.7 94.67 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.407 ' HA3' ' HD2' ' A' ' 148' ' ' PRO . . . -97.35 -146.97 21.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.407 ' HD2' ' HA3' ' A' ' 147' ' ' GLY . 54.3 Cg_endo -69.7 167.15 25.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.3 p -144.69 151.1 38.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.6 t -106.06 146.24 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.434 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.507 ' H1 ' ' HG3' ' A' ' 9' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -145.35 160.81 40.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.865 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 4' ' ' GLY . 7.7 t -154.75 124.45 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.809 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.58 40.96 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.488 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -166.89 145.63 5.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 t -116.14 42.44 2.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.0 -102.16 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -152.58 127.59 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.507 ' HG3' ' H1 ' ' A' ' 1' ' ' GLY . 32.1 tt0 -67.44 81.94 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.1 t -102.67 130.15 49.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 29.7 mt -92.82 154.25 18.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -118.18 104.33 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG13 ' HA ' ' A' ' 113' ' ' SER . 98.8 t -99.23 136.94 28.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.9 m -111.12 -177.92 3.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.49 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.6 m-20 -107.88 163.4 13.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.56 HG21 ' OG1' ' A' ' 120' ' ' THR . 13.7 m -98.29 118.92 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.612 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -60.16 133.84 56.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -52.59 -41.48 63.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -54.39 -41.42 69.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' ' 51' ' ' LEU . 1.7 tp -75.68 -50.17 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.632 HG22 HG21 ' A' ' 120' ' ' THR . 85.8 t -43.14 -61.45 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -42.33 -36.0 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 1.008 ' HD2' HD23 ' A' ' 51' ' ' LEU . 17.0 mttp -73.36 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 21' ' ' VAL . 59.4 mt -77.5 -48.49 16.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' CD ' HG12 ' A' ' 21' ' ' VAL . 14.6 mtp85 -49.85 -45.92 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 30' ' ' ARG . 20.4 mmtt -61.84 -39.94 93.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -54.73 6.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.864 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -64.8 -45.73 85.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 1.8 m-85 -87.99 23.92 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.2 ptm85 -69.75 150.22 47.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -124.26 38.79 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -106.01 180.0 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -115.61 -37.53 3.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -66.36 -177.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.19 172.78 8.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.69 157.74 34.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.714 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.88 118.44 5.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.733 HG23 HD13 ' A' ' 51' ' ' LEU . 6.2 mt -109.08 115.2 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.601 ' O ' HD12 ' A' ' 51' ' ' LEU . 15.0 mt -97.43 139.64 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.0 mtm -127.39 158.37 37.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.82 151.61 27.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.54 HG12 HG22 ' A' ' 49' ' ' VAL . 10.4 mt -102.77 131.65 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 44' ' ' LYS . 5.5 t70 -85.7 168.13 14.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -90.66 -29.99 17.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -82.8 -70.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -63.83 -29.78 70.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.9 mmt85 54.56 46.88 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.612 HD23 ' HB2' ' A' ' 17' ' ' ALA . 7.7 tp -132.09 161.43 33.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.54 HG22 HG12 ' A' ' 42' ' ' ILE . 42.3 t -93.07 107.79 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.7 m -118.51 161.45 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.008 HD23 ' HD2' ' A' ' 23' ' ' LYS . 4.6 tp -80.75 121.09 25.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.592 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.5 t0 -72.47 -54.25 9.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -166.86 146.48 5.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.823 ' HG3' HD21 ' A' ' 51' ' ' LEU . 4.6 mt-10 -95.46 133.74 39.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.783 ' HB3' HG11 ' A' ' 58' ' ' VAL . 50.1 mt -115.01 107.54 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -99.53 154.95 17.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.35 58.76 4.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.783 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.0 m -120.23 177.72 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 m -123.48 159.23 56.08 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.676 0.75 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.452 ' HB3' HD22 ' A' ' 140' ' ' LEU . 53.9 Cg_endo -69.74 -16.62 37.72 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.37 -22.7 17.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -97.36 -33.39 11.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.4 tp -57.91 -46.38 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -54.2 -26.58 29.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.5 -34.19 73.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -83.74 14.95 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.482 ' CD2' HG12 ' A' ' 75' ' ' ILE . 44.0 mt -119.2 150.33 48.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.547 0.689 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 142.0 46.84 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -112.48 8.75 19.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -120.45 -18.66 7.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -136.58 149.78 68.33 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 135.65 30.99 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.319 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -142.13 155.51 45.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.859 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.0 m-85 -98.65 138.46 35.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.859 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.39 125.67 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.414 ' CG1' HD21 ' A' ' 123' ' ' LEU . 94.8 t -107.94 99.74 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -99.06 159.88 14.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.0 t -132.29 95.14 3.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.508 ' HB2' HD21 ' A' ' 140' ' ' LEU . 66.1 t80 -70.24 161.13 30.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.49 ' HG2' HG11 ' A' ' 88' ' ' VAL . 52.9 tttt -103.03 101.16 11.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.633 ' C ' HG13 ' A' ' 88' ' ' VAL . 2.4 t80 -89.02 104.72 17.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.837 ' HA ' HG22 ' A' ' 88' ' ' VAL . 18.8 tp60 -87.17 135.72 33.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -105.4 136.67 44.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.816 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 85' ' ' ASP . 6.5 t0 -40.1 -59.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 84' ' ' ASP . 0.5 OUTLIER -37.12 -37.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.57 -32.12 2.5 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 88' ' ' VAL . 2.6 tmm_? -68.71 148.43 50.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 82' ' ' GLN . 48.2 t -135.99 129.07 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 19.6 m -118.1 144.57 45.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -106.28 90.3 4.62 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.611 0.72 . . . . 0.0 110.862 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.3 Cg_endo -69.75 122.09 8.77 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.02 HD11 ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -77.76 128.9 34.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.09 154.83 49.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.851 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.1 t80 -104.61 107.81 18.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 48.9 mt -93.39 101.79 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.55 ' CZ ' ' OG ' ' A' ' 98' ' ' SER . 5.4 t80 -79.26 89.52 4.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.3 t -71.37 99.74 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.55 ' OG ' ' CZ ' ' A' ' 96' ' ' PHE . 3.7 m -120.24 101.16 47.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.8 Cg_endo -69.74 116.82 4.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 t -40.99 -27.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -80.52 20.74 5.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -96.53 161.42 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.896 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.9 ptmt -91.35 155.67 44.11 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.567 0.699 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.4 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -41.9 -28.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.418 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 10.6 mm100 -93.22 -46.65 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.589 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.3 mm100 -44.1 -34.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 1' ' ' GLY . 4.6 mtm -69.2 -45.18 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.514 ' HE3' HD12 ' A' ' 42' ' ' ILE . 31.5 ttp -59.84 -49.73 76.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -73.49 -39.03 65.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.27 -69.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.58 65.6 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.504 ' HA ' HG13 ' A' ' 13' ' ' VAL . 43.0 m -51.92 -38.74 57.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.831 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.2 ttpp -51.85 -63.93 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.0 t-20 -34.35 -50.05 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.539 ' HE2' HG22 ' A' ' 16' ' ' VAL . 5.3 tttt -54.72 -53.82 49.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.599 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 0.8 OUTLIER -47.67 -52.93 16.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.414 HG21 HG21 ' A' ' 126' ' ' VAL . 56.1 t -46.69 -23.13 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -91.81 -35.11 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.632 HG21 HG22 ' A' ' 21' ' ' VAL . 19.4 m -69.78 -42.69 73.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -83.49 -1.97 54.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 58.74 44.43 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.851 HD13 ' HB2' ' A' ' 94' ' ' PHE . 14.5 mt -89.73 138.01 31.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 57.3 p -95.88 -46.73 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -93.79 138.14 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.447 HG13 ' HB3' ' A' ' 94' ' ' PHE . 38.6 t -139.07 110.56 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.583 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.2 m-85 -113.44 152.69 29.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -128.67 143.33 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.479 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 3.8 pt -124.17 134.2 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -65.01 -27.26 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -147.41 143.79 28.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 43.8 p -56.04 -21.66 23.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.68 -40.2 84.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' THR . 1.4 m-20 -56.79 -38.04 71.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 7.4 tp -56.34 84.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' ASP . 62.4 p -128.33 164.92 21.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -49.98 -54.85 17.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -53.63 -48.96 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.458 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 31.6 t90 -59.46 -35.62 74.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.508 HD21 ' HB2' ' A' ' 79' ' ' TYR . 10.9 tp -58.65 -64.16 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -54.99 -20.86 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -69.8 -41.64 74.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.9 mmmt -71.03 -37.04 72.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.6 mt -74.48 -37.0 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -79.49 -71.68 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.466 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.0 p -161.83 108.16 1.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -79.08 -147.09 3.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 148.93 66.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.7 t -156.02 161.91 40.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 57.2 p -90.09 114.46 26.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.455 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -68.1 143.33 55.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -97.57 170.25 9.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.85 82.21 1.03 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.4 m -82.41 98.34 8.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.848 0.356 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -53.89 161.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.46 -72.6 1.1 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.4 m -107.3 153.42 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.852 0.358 . . . . 0.0 110.859 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' OE2' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -81.63 -8.14 59.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t 46.68 46.27 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.808 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -110.65 176.52 5.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.57 122.38 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 113' ' ' SER . 46.2 t -117.78 130.1 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 84.5 m -104.46 -174.92 2.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.15 158.61 19.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG12 HD22 ' A' ' 117' ' ' LEU . 25.7 m -90.15 128.7 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.674 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -67.86 131.47 45.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -54.83 -36.9 65.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -36.33 81.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 tp -81.72 -52.74 6.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 17' ' ' ALA . 55.1 t -38.74 -54.95 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.69 -39.94 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 23.4 mttp -64.59 -50.72 66.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.66 HD13 ' HB2' ' A' ' 121' ' ' ALA . 87.0 mt -59.17 -40.13 84.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt-85 -54.24 -47.01 72.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.8 mmtt -64.4 -41.69 96.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.911 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.88 -53.63 4.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -61.79 -48.96 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -94.94 35.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.558 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 8.6 ptm180 -69.75 124.96 25.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 pptp? -89.76 25.29 2.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -106.47 170.77 7.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.499 HG23 ' OH ' ' A' ' 90' ' ' TYR . 98.9 m -108.94 -43.16 4.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -55.88 179.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -89.29 176.89 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.558 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -160.23 160.61 32.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.551 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -155.88 114.03 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 mt -104.27 117.85 50.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.161 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.876 HD12 ' HG3' ' A' ' 53' ' ' GLU . 12.8 mt -98.09 141.91 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.0 mtm -132.96 144.72 50.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.36 160.22 38.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 43.6 mt -116.69 129.18 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -82.16 -178.46 7.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -89.58 -42.2 11.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -94.79 -51.2 4.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' LEU . 52.4 mm-40 -51.2 -24.69 4.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.21 37.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 46' ' ' GLU . 2.6 tp -139.29 136.86 35.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.494 HG21 HD21 ' A' ' 117' ' ' LEU . 25.7 t -71.56 112.83 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.41 164.77 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.796 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.9 tm? -70.1 122.47 19.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' HD13 ' A' ' 51' ' ' LEU . 9.6 t0 -88.21 -44.75 10.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.876 ' HG3' HD12 ' A' ' 39' ' ' ILE . 9.5 pt-20 -176.07 149.28 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -111.01 123.34 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HB3' HG11 ' A' ' 58' ' ' VAL . 32.9 mt -108.22 144.41 35.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' O ' HG13 ' A' ' 58' ' ' VAL . 69.2 mt-10 -128.61 152.05 48.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.6 57.3 1.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.52 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.8 m -114.48 176.04 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 111.16 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -123.03 160.84 47.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -14.62 36.37 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.72 2.28 . . . . 0.0 112.335 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -93.26 -30.81 14.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -93.83 -25.26 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.449 HD13 HD12 ' A' ' 55' ' ' LEU . 12.1 tp -66.5 -53.62 32.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.706 ' HA ' HD12 ' A' ' 67' ' ' LEU . 7.6 pttp -48.87 -32.4 8.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.947 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.01 -33.18 74.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.95 17.57 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 64' ' ' LYS . 17.1 mt -122.97 152.0 62.24 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 132.07 22.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -101.89 21.32 14.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -128.83 -32.22 2.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -124.87 150.93 67.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.731 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.79 132.31 23.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -133.54 156.76 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.779 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.0 m-85 -99.2 135.99 39.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.779 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.9 mp -148.84 130.3 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.7 t -110.35 99.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 60.8 t80 -100.34 158.84 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 44.0 t -132.98 95.05 3.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.9 t80 -67.48 170.61 7.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 61.3 tttt -114.38 104.31 11.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.948 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.487 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.8 t80 -90.68 99.31 12.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.983 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.443 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 10.2 tm0? -84.64 133.78 34.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.443 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 89.9 m-70 -102.01 131.29 48.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -38.29 -54.58 1.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -41.75 -40.84 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.91 -37.67 1.49 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.422 ' NH2' ' HB2' ' A' ' 89' ' ' SER . 4.4 ttp180 -63.59 146.72 53.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.487 HG23 ' C ' ' A' ' 81' ' ' TYR . 3.8 p -144.87 132.73 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.422 ' HB2' ' NH2' ' A' ' 87' ' ' ARG . 7.4 t -125.63 161.93 26.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -116.31 93.54 39.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.709 0.766 . . . . 0.0 110.896 -179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.78 120.7 7.44 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.688 2.258 . . . . 0.0 112.309 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.911 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.6 mm? -77.61 124.22 27.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 9.3 m -129.01 158.8 37.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.693 ' HB2' HD13 ' A' ' 123' ' ' LEU . 14.6 t80 -103.78 109.24 20.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.403 HD13 HD13 ' A' ' 135' ' ' LEU . 72.0 mt -96.11 101.27 12.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.69 91.29 6.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 94.1 p -75.15 97.53 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.41 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 23.1 t -120.27 101.23 47.08 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.694 0.759 . . . . 0.0 110.865 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.7 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.4 t -50.05 -24.88 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.3 21.66 4.99 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 22.0 p -103.89 160.27 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.64 156.07 58.94 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.584 0.706 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.5 2.05 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.313 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -42.62 -29.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -92.28 -45.89 7.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -42.54 -34.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.2 mtm -75.28 -46.02 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.3 ttp -58.62 -36.14 73.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.459 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 71.7 m-85 -87.59 -40.91 13.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.61 -65.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.75 -52.52 52.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.474 ' HA ' HG13 ' A' ' 13' ' ' VAL . 40.7 m -52.11 -38.54 57.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.963 0.411 . . . . 0.0 110.904 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.501 ' NZ ' HG11 ' A' ' 126' ' ' VAL . 13.3 ttpp -51.32 -59.76 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.8 t-20 -34.88 -62.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -45.01 -48.79 11.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.494 HD21 HG21 ' A' ' 49' ' ' VAL . 8.0 mt -52.69 -55.76 20.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.22 -25.65 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -88.18 -34.99 17.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.0 m -68.48 -55.24 12.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.66 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -70.93 -4.0 22.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 58.68 45.78 15.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.693 HD13 ' HB2' ' A' ' 94' ' ' PHE . 8.8 mt -93.28 128.61 39.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 31.1 p -88.45 -46.19 9.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.189 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -90.66 127.01 36.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.501 HG11 ' NZ ' ' A' ' 114' ' ' LYS . 61.9 t -128.86 111.54 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 5.4 m-85 -114.56 145.91 41.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.67 141.25 52.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 11.2 pt -118.85 133.49 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.419 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 9.5 ptt-85 -65.35 -27.41 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.409 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 10.2 m-20 -147.78 137.4 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 32.5 p -48.15 -27.8 2.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -61.7 -43.17 99.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.84 -35.47 57.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 45.3 tp -59.67 94.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.1 p -139.6 165.87 26.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -52.43 -61.1 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -49.34 -40.25 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -61.57 -45.17 95.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.59 -62.09 1.84 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -53.42 -22.58 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.36 -47.96 58.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -64.28 -43.27 95.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.6 mt -66.49 -39.34 88.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.48 -92.5 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 23.0 t -96.0 86.82 4.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.969 0.414 . . . . 0.0 110.856 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -127.14 -143.44 5.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 110.67 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.732 2.288 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.2 m -71.51 98.71 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.5 t -95.84 146.31 24.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.548 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -141.16 145.26 35.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.6 p -100.11 164.99 11.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.88 -127.86 2.75 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -109.59 136.09 49.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 m -92.2 177.96 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.54 -144.14 4.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.471 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 11' ' ' LEU . 7.9 t 59.17 41.38 20.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.349 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -153.92 126.16 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.4 p 44.0 43.95 5.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.466 HD11 ' HA ' ' A' ' 8' ' ' SER . 74.6 mt -69.87 156.82 38.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.9 t -120.74 96.69 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.143 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.415 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 0.6 OUTLIER -99.9 152.22 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 3.5 m -137.47 177.12 8.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.491 ' CB ' HD11 ' A' ' 48' ' ' LEU . 5.6 m-20 -106.01 158.9 16.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG12 HD22 ' A' ' 117' ' ' LEU . 27.8 m -85.98 128.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.731 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -63.14 141.23 58.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.55 -43.81 93.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.22 -25.56 67.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.5 OUTLIER -83.17 -55.07 4.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.731 HG23 ' O ' ' A' ' 17' ' ' ALA . 21.4 t -40.1 -59.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.1 pt-20 -41.5 -43.91 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 13.8 mttp -64.67 -38.55 91.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 21' ' ' VAL . 80.5 mt -70.9 -44.11 66.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -53.05 -47.73 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 9.1 mmtp -60.13 -37.97 81.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.901 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -50.33 -48.27 55.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.59 -44.41 67.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.47 35.6 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -79.36 141.8 36.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.2 mmtt -109.33 36.41 2.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.4 mm-40 -109.1 141.39 41.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.2 m -78.97 -41.37 29.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.2 p-80 -63.35 176.34 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.42 -179.94 7.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.41 160.55 32.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.739 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -153.45 123.19 6.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.734 HG23 HD23 ' A' ' 51' ' ' LEU . 10.8 mt -114.27 119.5 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.513 ' O ' HD22 ' A' ' 51' ' ' LEU . 30.1 mt -101.33 126.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.886 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.3 mtm -114.81 147.35 39.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.621 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -147.26 156.29 42.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 5.8 mt -106.45 144.72 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -97.51 163.39 12.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -88.26 -15.96 34.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -107.08 -40.42 5.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -83.01 -12.07 57.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 32.24 41.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.491 HD11 ' CB ' ' A' ' 15' ' ' ASP . 10.2 tp -145.07 145.19 31.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 117' ' ' LEU . 11.7 t -68.66 139.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.621 HG23 ' HD3' ' A' ' 41' ' ' LYS . 31.1 m -145.42 164.39 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.734 HD23 HG23 ' A' ' 38' ' ' ILE . 2.8 tm? -85.63 118.75 25.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.489 ' CB ' ' HE2' ' A' ' 41' ' ' LYS . 15.5 t0 -77.72 -44.4 27.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -168.12 160.71 12.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -123.28 125.76 45.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD12 ' HB3' ' A' ' 37' ' ' ALA . 7.7 mt -106.19 150.23 26.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -130.34 145.86 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.7 51.58 10.12 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.659 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.1 m -106.73 177.31 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -124.17 161.42 47.42 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.645 0.736 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.675 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.71 -17.38 37.84 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.86 -28.91 18.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -95.41 -23.94 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.05 -49.1 77.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -55.39 -31.82 62.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -61.82 -29.13 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -91.45 14.61 14.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 75' ' ' ILE . 30.1 mt -119.65 149.55 48.39 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.548 0.69 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.14 39.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.703 2.269 . . . . 0.0 112.313 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.95 20.36 18.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 -33.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -123.31 149.49 57.96 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 134.61 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -139.32 158.89 43.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.71 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.8 m-85 -98.45 138.97 34.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.71 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.2 mp -147.85 128.43 5.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.597 HG23 ' HE2' ' A' ' 40' ' ' MET . 53.5 t -112.46 99.94 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.166 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -104.61 152.98 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.472 ' OG ' HD22 ' A' ' 92' ' ' LEU . 20.3 t -122.99 94.93 4.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.443 ' HB2' HD13 ' A' ' 140' ' ' LEU . 64.3 t80 -67.54 162.59 23.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.5 tttt -107.63 98.71 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.427 ' HD2' HD13 ' A' ' 144' ' ' LEU . 1.6 t80 -87.24 94.47 9.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 24.3 tp60 -86.2 144.25 27.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' N ' ' HG3' ' A' ' 82' ' ' GLN . 66.8 m-70 -112.79 143.58 43.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -44.42 -55.81 4.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.96 -40.68 1.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.448 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 138.3 -31.05 2.47 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH1' ' HB3' ' A' ' 89' ' ' SER . 1.7 tmm_? -65.92 132.77 49.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.83 0.347 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.425 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 2.9 p -136.09 127.61 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.418 ' HB3' ' NH1' ' A' ' 87' ' ' ARG . 58.2 p -123.48 150.77 43.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -105.71 90.21 4.07 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.688 0.756 . . . . 0.0 110.931 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.5 Cg_endo -69.81 124.92 11.53 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.362 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.901 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.7 mm? -77.5 127.35 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 3.1 m -129.4 159.81 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.641 ' HB2' HD13 ' A' ' 123' ' ' LEU . 3.9 t80 -109.5 110.06 21.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.8 mt -99.17 103.59 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -83.7 89.81 7.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.7 t -70.96 106.32 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.855 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.0 p -128.4 101.29 21.71 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.638 0.732 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.7 Cg_endo -69.76 115.38 4.07 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.323 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.419 ' H ' HG23 ' A' ' 100' ' ' VAL . 4.2 t -44.1 -23.92 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.85 15.82 9.51 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.455 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 11.2 p -99.8 161.79 13.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.2 155.41 54.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.76 3.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.716 2.278 . . . . 0.0 112.354 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 4.6 tp10 -48.08 -27.21 2.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.7 mm-40 -92.84 -46.22 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.96 -37.45 1.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.9 mtm -71.54 -34.98 70.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.6 ' HE2' ' CE1' ' A' ' 110' ' ' TYR . 54.7 ttp -64.23 -35.31 80.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.6 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 79.4 m-85 -92.69 -32.56 14.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.5 -65.98 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.45 -49.43 64.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.7 m -58.43 -40.84 83.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.424 . . . . 0.0 110.84 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 12.6 ttpt -48.77 -59.97 3.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.4 -65.36 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -44.1 -48.71 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 49' ' ' VAL . 6.1 mt -50.66 -54.89 19.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.61 -19.76 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -96.09 -30.75 13.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.1 m -72.63 -47.97 43.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.54 -7.41 56.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 62.27 45.79 6.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.2 mt -95.11 132.86 39.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.2 p -92.44 -38.94 11.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.23 128.61 39.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.78 108.51 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 3.5 m-85 -114.45 151.06 33.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -129.39 140.31 51.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 24.1 pt -116.97 137.92 49.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.542 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 18.2 ptt180 -70.62 -29.86 66.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.542 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 3.6 m-20 -144.8 139.73 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 41.6 p -49.62 -27.63 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -63.1 -33.25 75.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.81 -37.73 77.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.8 tt -55.23 98.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.75 165.45 27.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -54.53 -59.05 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -52.88 -39.29 62.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 43.6 t90 -62.22 -42.2 99.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.443 HD13 ' HB2' ' A' ' 79' ' ' TYR . 11.9 mt -55.78 -62.07 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 16.0 mtp-105 -52.43 -27.73 17.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -65.35 -46.32 80.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.518 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.96 -43.07 88.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.427 HD13 ' HD2' ' A' ' 81' ' ' TYR . 72.7 mt -63.56 -39.11 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -112.94 60.22 0.35 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.513 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 10.9 p -117.46 92.79 3.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.921 0.391 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 82.35 142.47 4.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 4.38 2.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.373 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.4 m -64.22 100.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.9 t -62.87 123.69 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -124.03 144.95 49.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.3 p -102.65 -43.98 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.818 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.5 -145.22 8.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -58.15 172.38 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 p -116.24 -60.95 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.811 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.33 152.28 22.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 p -136.63 168.29 19.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.877 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -82.81 45.09 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.5 m -91.61 127.72 37.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 108' ' ' MET . 70.4 mt -115.38 141.75 47.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.7 97.37 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -100.52 139.92 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.3 m -128.08 167.13 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.675 ' HB2' HD11 ' A' ' 48' ' ' LEU . 8.4 m-20 -94.93 172.46 8.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 ' CG1' HD22 ' A' ' 117' ' ' LEU . 23.9 m -98.3 124.11 51.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.095 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.436 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -61.85 134.02 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -49.05 -45.35 42.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -27.21 62.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.9 OUTLIER -83.94 -54.01 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.558 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.4 t -45.94 -58.91 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' HG2' ' N ' ' A' ' 23' ' ' LYS . 5.7 pt-20 -38.55 -40.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.5 mttp -63.98 -53.16 54.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 121' ' ' ALA . 92.8 mt -57.23 -38.23 73.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.6 mtt-85 -55.55 -44.91 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.0 mmtp -67.96 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.89 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.69 -53.32 15.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 28' ' ' ARG . 5.5 mmm180 -62.88 -46.01 89.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -96.7 33.64 1.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 7.8 ptm180 -72.78 128.52 35.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -92.92 37.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -114.46 160.82 18.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -101.91 -34.19 9.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -69.33 173.51 5.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.43 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.3 m120 -84.05 175.45 9.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -160.64 162.74 32.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -151.53 119.69 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.4 mt -107.53 114.81 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.891 HD12 ' CG ' ' A' ' 53' ' ' GLU . 26.7 mt -96.31 146.81 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.681 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.8 mtm -138.51 160.34 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.71 162.94 39.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.515 HD12 ' CD1' ' A' ' 110' ' ' TYR . 64.5 mt -108.2 132.28 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -93.67 179.81 5.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.75 -21.52 10.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -69.02 -62.84 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' C ' ' HD2' ' A' ' 47' ' ' ARG . 44.3 mm-40 -95.14 -15.75 23.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER 57.07 55.0 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 15' ' ' ASP . 2.6 tp -144.33 144.43 31.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.631 HG12 ' CD1' ' A' ' 20' ' ' LEU . 21.5 t -68.68 122.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.4 m -127.94 155.05 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.748 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.4 tm? -57.03 128.01 34.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.533 ' N ' HD13 ' A' ' 51' ' ' LEU . 11.6 t0 -93.82 -45.64 7.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.891 ' CG ' HD12 ' A' ' 39' ' ' ILE . 10.0 pt-20 -175.29 151.07 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -115.19 129.49 56.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.624 ' HB3' HG11 ' A' ' 58' ' ' VAL . 41.0 mt -113.03 147.9 36.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.46 146.47 52.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 47.11 53.94 10.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.472 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.624 HG11 ' HB3' ' A' ' 55' ' ' LEU . 15.0 m -114.83 169.68 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 m -117.15 159.59 40.68 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.693 0.759 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.915 ' HB3' HD23 ' A' ' 140' ' ' LEU . 53.3 Cg_endo -69.76 -12.91 33.87 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.358 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -95.2 -28.24 15.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -96.64 -28.18 14.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.48 -46.99 83.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 67' ' ' LEU . 3.4 pttp -50.42 -36.55 33.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 5.3 t0 -56.6 -36.24 69.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -85.17 20.47 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 64' ' ' LYS . 26.5 mt -126.05 148.74 64.17 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 125.54 12.28 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -95.26 11.87 30.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.9 mtm-85 -121.83 -36.11 3.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -119.18 147.58 43.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.554 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.79 130.48 19.37 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -133.65 157.1 46.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.881 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.9 m-85 -98.5 138.24 36.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.881 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.5 mp -149.74 132.61 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 98.0 t -113.4 100.1 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.43 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 77.8 t80 -101.13 158.78 15.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.507 ' OG ' HD22 ' A' ' 92' ' ' LEU . 25.8 t -133.01 95.23 3.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 87.0 t80 -70.55 168.84 15.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 65.2 tttt -111.99 104.99 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -96.19 97.82 9.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -80.34 130.38 35.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -94.01 136.27 34.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -46.76 -46.44 20.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 84' ' ' ASP . 4.0 m-20 -44.0 -36.93 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 137.27 -30.79 2.59 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -76.95 152.62 35.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.6 p -142.68 137.4 27.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 25.0 p -133.22 151.49 51.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.506 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -102.87 95.85 6.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.739 . . . . 0.0 110.927 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 89' ' ' SER . 53.8 Cg_endo -69.78 120.2 7.02 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.2 mm? -77.44 122.6 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 17.0 m -125.54 166.99 15.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.94 ' HB2' HD13 ' A' ' 123' ' ' LEU . 5.3 t80 -118.02 106.69 13.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.481 HG21 HD13 ' A' ' 135' ' ' LEU . 36.1 mt -94.2 101.81 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.164 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -76.82 86.53 3.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 t -64.45 106.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 11.1 t -132.61 101.26 14.42 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.691 0.757 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.76 133.77 26.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 130' ' ' ARG . 3.2 t -53.59 -26.48 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.72 21.1 5.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.1 p -99.05 155.72 17.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.944 0.402 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.21 156.58 51.46 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.557 0.694 . . . . 0.0 110.929 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.76 1.11 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -45.9 -25.25 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 109' ' ' MET . 10.0 mm100 -93.37 -48.04 6.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -44.17 -34.25 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.465 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . 0.9 OUTLIER -77.93 -30.16 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 106' ' ' GLN . 44.5 ttp -68.46 -34.76 76.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.554 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 66.2 m-85 -94.33 -29.64 14.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -56.48 -62.33 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -54.08 -46.54 69.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -38.14 90.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.929 0.395 . . . . 0.0 110.895 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 115' ' ' ASN . 9.3 ttpt -49.7 -62.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.1 t-20 -35.47 -58.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -49.5 -50.39 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.477 HD22 ' CG1' ' A' ' 16' ' ' VAL . 5.5 mt -49.67 -50.82 41.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.9 t -51.61 -19.79 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.02 -34.42 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.558 ' CG2' HG13 ' A' ' 21' ' ' VAL . 41.3 m -67.21 -41.76 85.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.179 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.67 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -89.2 -2.42 58.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 56.36 49.69 14.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.94 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.6 mt -95.05 136.36 35.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.1 p -95.09 -48.04 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.32 124.25 33.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.23 109.01 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 10.4 m-85 -110.06 148.32 31.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -127.24 127.94 45.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' A' ' 135' ' ' LEU . 14.8 pt -102.12 139.39 23.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.158 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.641 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -77.64 -5.95 52.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -171.53 137.56 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.8 p -45.83 -34.14 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -56.8 -39.84 74.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.441 ' OD1' ' NH2' ' A' ' 130' ' ' ARG . 0.5 OUTLIER -57.65 -39.08 76.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.481 HD13 HG21 ' A' ' 95' ' ' ILE . 65.9 tp -60.95 92.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 60.2 p -138.88 170.52 15.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -52.91 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -49.85 -49.63 48.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.463 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 49.5 t90 -58.14 -37.87 75.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.915 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -53.02 -59.52 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.4 mtp85 -62.15 -25.5 67.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -61.97 -48.19 81.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 6.4 mmmt -64.47 -42.82 95.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 45.9 mt -69.65 -34.11 73.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -71.83 -78.55 0.47 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 12.6 t -104.58 89.46 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.936 0.398 . . . . 0.0 110.888 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -114.2 -136.87 6.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 129.79 18.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 4.8 t -128.0 166.68 17.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.0 t -79.8 98.31 7.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -77.01 97.54 4.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.874 0.369 . . . . 0.0 110.833 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -128.07 161.85 28.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.94 -173.78 50.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -131.72 40.66 3.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 m -44.97 125.98 5.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.58 -178.83 27.78 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.8 p -41.09 113.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -137.8 121.63 17.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.3 t -81.46 91.67 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 mt -62.24 159.66 14.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.2 t -122.87 95.79 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.5 p -98.4 150.3 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 m -135.3 -174.96 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.498 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 2.6 m-20 -110.54 172.84 6.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.518 HG22 ' HE3' ' A' ' 116' ' ' LYS . 30.5 m -108.76 117.94 55.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.651 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -58.7 129.58 42.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -51.59 -35.06 39.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -58.78 -30.23 67.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 14.1 tp -87.89 -51.98 5.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.545 HG22 HG21 ' A' ' 120' ' ' THR . 58.0 t -42.67 -54.87 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -40.95 -41.64 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.486 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.6 mttp -66.06 -53.8 33.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' A' ' 121' ' ' ALA . 77.0 mt -52.78 -43.71 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -53.38 -46.03 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 30' ' ' ARG . 12.9 mmtp -65.28 -42.12 93.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.929 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.68 -56.87 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 5.6 mmm180 -60.06 -47.8 84.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -96.94 35.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.2 ptm180 -69.38 123.44 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.887 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.2 41.72 1.02 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 30' ' ' ARG . 9.9 mm-40 -122.28 -178.13 3.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 94.3 m -121.92 -39.25 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -62.22 169.27 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.841 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -73.79 177.7 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.55 154.16 13.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.783 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.55 113.89 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.9 mt -103.3 119.95 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.887 HD12 ' HG3' ' A' ' 53' ' ' GLU . 14.8 mt -98.84 143.7 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.432 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 15.9 mtm -135.57 161.62 35.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.23 173.09 17.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 49' ' ' VAL . 43.5 mt -116.95 133.53 63.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.37 -175.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -101.75 -30.3 11.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -120.0 -54.11 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -45.52 -35.73 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 58.5 55.04 5.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.651 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -150.51 133.69 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.561 ' N ' HD13 ' A' ' 48' ' ' LEU . 19.2 t -71.68 122.41 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.0 m -124.42 166.54 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.794 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.9 tm? -73.82 123.75 24.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' N ' HD13 ' A' ' 51' ' ' LEU . 13.0 t0 -89.2 -44.94 9.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.887 ' HG3' HD12 ' A' ' 39' ' ' ILE . 5.9 pt-20 -171.96 170.28 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -130.16 127.33 39.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.783 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 1.7 mm? -103.08 133.81 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' GLY . 17.7 mt-10 -119.29 143.2 47.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 34.92 52.77 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.505 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.71 HG11 HD12 ' A' ' 55' ' ' LEU . 12.0 m -106.39 176.47 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 162.95 33.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.74 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.664 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.4 Cg_endo -69.77 -12.52 33.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 0.0 112.309 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -94.73 -26.5 16.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -96.7 -27.38 14.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.3 tp -64.42 -48.61 74.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 pttp -53.99 -24.4 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -71.05 -28.49 64.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -89.28 13.33 13.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.436 ' CD2' HG12 ' A' ' 75' ' ' ILE . 13.6 mt -120.13 151.24 52.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.605 0.717 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 137.25 34.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.734 2.289 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -105.41 16.15 26.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.1 mmm-85 -128.49 -29.34 2.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -126.17 151.36 71.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.547 0.689 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.466 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.4 Cg_endo -69.77 136.78 33.83 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -139.21 157.87 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.78 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.6 m-30 -98.63 136.59 38.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.78 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.0 mp -149.1 131.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 58.4 t -112.57 100.16 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -102.22 155.85 17.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.603 ' OG ' HD22 ' A' ' 92' ' ' LEU . 22.2 t -131.23 94.8 3.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.483 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 75.5 t80 -69.27 169.34 12.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HE2' HG21 ' A' ' 88' ' ' VAL . 58.0 tttt -113.69 107.84 16.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.435 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.8 t80 -94.9 99.3 11.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -83.28 134.62 34.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -101.65 129.66 47.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -38.5 -47.06 1.24 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -46.47 -43.59 16.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.61 -35.48 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -69.57 146.93 51.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.493 HG21 ' HE2' ' A' ' 80' ' ' LYS . 3.1 p -143.44 133.83 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 55.0 m -128.33 150.59 50.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -103.48 95.25 6.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.66 0.743 . . . . 0.0 110.886 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.77 120.91 7.62 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.694 2.263 . . . . 0.0 112.315 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.929 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.59 122.49 25.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 5.0 m -129.12 157.46 41.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.8 t80 -103.14 110.47 22.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.4 mt -97.46 100.83 11.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -81.92 93.6 6.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 59.8 p -73.11 98.67 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.2 p -119.83 100.98 48.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.678 0.752 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 115.47 4.1 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.391 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.42 HG23 ' H ' ' A' ' 100' ' ' VAL . 8.3 t -43.72 -25.13 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.92 21.15 4.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 13.4 p -102.62 161.81 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.848 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 156.59 51.57 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -47.68 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.685 2.256 . . . . 0.0 112.294 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -44.79 -27.32 0.5 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 109' ' ' MET . 9.1 mm100 -91.94 -48.15 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 7.0 mm100 -42.96 -34.36 0.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -72.79 -38.2 67.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.548 ' HE2' ' CE1' ' A' ' 110' ' ' TYR . 13.4 ttp -62.36 -38.57 90.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.548 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 90.1 m-85 -90.99 -31.36 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.956 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -58.37 -69.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.68 -42.59 85.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -62.7 -40.75 98.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.6 ttpt -47.79 -57.56 5.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -34.03 -63.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.518 ' HE3' HG22 ' A' ' 16' ' ' VAL . 1.5 tttp -45.38 -50.72 12.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.945 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.684 ' CD1' ' CD2' ' A' ' 74' ' ' PHE . 6.4 mt -50.43 -56.51 11.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -47.7 -21.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -94.03 -34.64 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.545 HG21 HG22 ' A' ' 21' ' ' VAL . 25.7 m -67.08 -44.15 80.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.739 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -82.04 -4.85 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 61.54 49.66 5.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.546 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.4 mt -102.9 132.91 48.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 45.9 p -94.0 -45.43 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -85.13 124.52 31.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.19 113.06 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 7.6 m-85 -116.74 146.2 42.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -125.99 131.14 52.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 44.3 pt -104.43 137.96 31.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.179 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 56.0 mtm-85 -65.19 -30.64 71.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.45 142.42 21.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 38.2 p -44.55 -32.28 1.38 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.182 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -57.46 -40.15 77.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.462 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.8 t0 -54.26 -41.03 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.5 tt -50.04 94.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 70.8 p -141.86 156.27 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -48.79 -54.78 13.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -57.3 -39.57 76.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.462 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 20.1 t90 -62.48 -43.53 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 mt -53.38 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 -50.26 -29.29 9.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.46 -44.13 95.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 23.2 mt -66.62 -37.66 85.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.5 -70.24 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.508 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.4 t -112.24 99.42 8.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -129.19 -129.94 3.21 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 124.82 11.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.35 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 65.5 m -68.15 104.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.3 m -114.45 118.1 32.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -151.59 122.68 7.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -91.36 134.82 34.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.8 113.81 0.58 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.7 m -127.5 42.4 3.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.865 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -43.34 -45.34 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.33 -105.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -112.34 150.28 31.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -106.54 101.0 10.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 t -118.15 47.6 1.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.538 ' H ' HD12 ' A' ' 11' ' ' LEU . 5.0 mp -58.16 170.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.8 t -126.8 96.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 1.2 p -95.68 152.36 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 30.3 m -139.59 -176.54 4.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.674 ' HB2' HD11 ' A' ' 48' ' ' LEU . 0.9 OUTLIER -102.79 170.8 7.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 16.9 m -103.18 121.9 55.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.77 126.34 26.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -50.37 -49.68 53.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.91 -35.08 22.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 50' ' ' VAL . 1.7 tp -82.27 -52.63 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 17' ' ' ALA . 51.9 t -39.58 -53.73 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -44.9 -38.29 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.541 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 18.4 mttp -67.71 -37.93 82.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.657 HD11 ' SD ' ' A' ' 40' ' ' MET . 74.7 mt -72.56 -48.54 39.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' HG12 ' A' ' 21' ' ' VAL . 54.5 mtm180 -50.82 -48.57 59.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -58.65 -38.05 77.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.893 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -47.13 -54.13 11.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -58.73 -45.48 89.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -96.79 34.7 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -70.66 122.95 20.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' CD ' ' O ' ' A' ' 31' ' ' LYS . 1.3 pptp? -89.32 32.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 65.3 mm-40 -113.18 166.71 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.937 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.3 m -105.42 -43.76 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 12.3 p-80 -54.74 178.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.804 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -86.49 178.78 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.09 157.26 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.98 118.77 4.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.411 HD12 ' HD2' ' A' ' 27' ' ' PHE . 27.1 mt -108.15 122.96 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.82 HD12 ' CG ' ' A' ' 53' ' ' GLU . 39.2 mt -102.02 141.36 18.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.657 ' SD ' HD11 ' A' ' 24' ' ' LEU . 14.8 mtm -133.92 164.23 27.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.3 176.45 8.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.99 133.16 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.68 169.94 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -41.63 43.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -89.61 -54.8 3.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' ARG . 9.0 mm-40 -52.73 -22.43 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' CD ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.4 38.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 15' ' ' ASP . 3.3 tp -149.21 144.54 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 117' ' ' LEU . 22.1 t -68.0 116.36 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.528 ' C ' HD22 ' A' ' 20' ' ' LEU . 18.2 m -120.18 169.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.571 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.4 tm? -75.16 122.85 24.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -86.84 -45.05 11.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.82 ' CG ' HD12 ' A' ' 39' ' ' ILE . 8.4 pt-20 -173.88 170.08 3.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -135.11 128.0 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB3' HG11 ' A' ' 58' ' ' VAL . 25.1 mt -113.82 149.77 34.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' GLY . 34.8 mt-10 -125.67 150.1 47.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.48 60.66 0.75 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.524 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.727 HG11 ' HB3' ' A' ' 55' ' ' LEU . 10.8 m -113.46 174.69 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -122.75 161.76 42.31 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.692 0.758 . . . . 0.0 110.827 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.586 ' O ' HD22 ' A' ' 135' ' ' LEU . 52.9 Cg_endo -69.88 -10.69 29.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.641 2.227 . . . . 0.0 112.289 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.79 -28.17 15.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -95.29 -24.03 16.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.475 HD13 HD12 ' A' ' 55' ' ' LEU . 14.5 tp -61.71 -57.38 12.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' A' ' 65' ' ' ASP . 2.1 pttt -46.54 -37.02 7.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.492 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 0.8 OUTLIER -58.49 -34.94 71.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -89.51 17.36 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD2' HG12 ' A' ' 75' ' ' ILE . 60.4 mt -120.93 150.59 53.41 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 129.13 17.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -101.58 21.12 14.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -129.25 -32.53 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.433 ' N ' ' HG3' ' A' ' 99' ' ' PRO . 16.1 mt-30 -125.54 151.42 70.31 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.566 0.698 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.412 ' HA ' ' O ' ' A' ' 97' ' ' SER . 54.0 Cg_endo -69.7 129.71 18.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -133.26 156.67 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.834 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.4 m-30 -97.83 138.01 35.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.834 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.2 mp -149.37 127.98 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 69.2 t -109.75 99.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -98.67 158.44 15.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.3 t -131.58 95.18 3.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' HB2' HD21 ' A' ' 140' ' ' LEU . 62.6 t80 -69.78 169.76 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.492 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.3 tttt -116.68 97.05 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -87.29 99.3 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -87.28 137.98 31.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -100.73 128.98 46.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -41.08 -40.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -50.78 -43.76 58.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.8 -35.81 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -71.98 148.29 46.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.373 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.416 HG21 ' CE ' ' A' ' 80' ' ' LYS . 3.1 p -144.11 133.08 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.1 t -126.0 157.93 36.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.521 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -113.49 91.96 22.0 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.709 0.766 . . . . 0.0 110.926 -179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.2 Cg_endo -69.82 124.07 10.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.893 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.8 mm? -77.81 125.72 29.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.52 153.66 47.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.884 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -103.79 107.26 18.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.7 mt -95.5 101.09 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -81.83 98.53 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 13.4 t -78.9 95.22 5.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -114.17 101.07 53.77 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.679 0.752 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.433 ' HG3' ' N ' ' A' ' 71' ' ' GLN . 53.9 Cg_endo -69.78 122.02 8.7 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.643 2.229 . . . . 0.0 112.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 t -49.36 -24.53 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.68 20.7 5.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 8.6 p -104.56 161.93 13.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -85.9 153.37 57.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.6 0.715 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -40.93 4.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.309 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -49.73 -27.24 4.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -93.87 -41.29 9.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -46.81 -36.11 7.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.1 mtm -72.57 -39.86 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.632 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 54.4 ttp -60.5 -41.19 93.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.632 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 60.5 m-85 -86.49 -34.61 19.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -57.41 -69.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.17 -43.24 88.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.7 m -62.1 -40.64 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.01 0.433 . . . . 0.0 110.896 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.5 ttpt -49.76 -60.77 2.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.949 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -33.82 -56.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -46.81 -53.99 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.53 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.8 -52.85 21.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 123' ' ' LEU . 83.1 t -44.22 -26.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -90.67 -38.86 12.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.534 ' CG2' HG13 ' A' ' 21' ' ' VAL . 15.7 m -65.17 -39.44 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -86.58 -3.71 59.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 62.23 47.06 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.884 HD13 ' HB2' ' A' ' 94' ' ' PHE . 6.9 mt -95.53 143.34 26.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 18.2 p -107.68 -32.66 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -104.56 126.74 51.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.435 HG21 HG21 ' A' ' 118' ' ' VAL . 22.0 t -130.65 117.7 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 14.3 m-85 -121.31 139.34 53.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -118.74 129.48 55.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.494 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 28.6 pt -106.7 131.83 55.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.415 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 10.4 ptt-85 -63.47 -27.64 69.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.414 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 8.1 m-20 -147.18 144.55 29.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.6 p -53.57 -30.72 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.48 -42.29 87.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.93 -39.21 62.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.7 tt -56.73 89.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.2 p -134.68 162.56 31.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -49.24 -55.63 11.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.49 -49.67 73.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 14.3 t90 -57.68 -37.96 74.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.523 HD21 ' HB2' ' A' ' 79' ' ' TYR . 17.7 tp -59.76 -64.76 0.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.4 mtp180 -55.15 -24.2 25.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.25 -41.07 94.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.71 -38.25 86.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 20.4 mt -75.55 -37.77 59.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -73.96 -41.75 39.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.1 m -80.43 43.81 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 60.82 140.28 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 142.88 49.07 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.673 2.248 . . . . 0.0 112.316 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 30.0 t -105.31 113.65 27.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 93.2 p -113.76 104.19 11.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -95.91 151.93 18.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -160.98 115.79 2.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.98 118.42 4.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 t -134.84 141.35 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -78.1 -51.25 10.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.26 140.73 0.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -165.78 162.36 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.818 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -126.08 108.49 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.8 t -174.76 149.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.6 mt -92.31 163.72 13.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.09 96.02 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.074 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 p -97.62 150.33 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.6 m -137.26 176.1 9.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.656 ' HB2' HD11 ' A' ' 48' ' ' LEU . 3.7 m-20 -100.27 162.68 12.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.464 ' O ' HG23 ' A' ' 16' ' ' VAL . 30.4 m -94.67 120.66 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -55.38 132.47 48.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.89 -45.91 82.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -54.78 -26.31 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -87.67 -54.29 4.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.573 HG23 ' O ' ' A' ' 17' ' ' ALA . 41.3 t -40.4 -49.04 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.407 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 6.5 pt-20 -43.94 -42.38 5.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.434 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 36.1 mttt -64.78 -53.4 47.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 121' ' ' ALA . 84.1 mt -53.21 -43.09 66.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -53.68 -44.7 69.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' ARG . 31.4 mmtt -68.32 -40.59 81.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.857 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -42.23 -55.77 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -61.25 -47.37 86.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -95.31 35.39 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LYS . 5.3 ptm85 -73.67 122.13 21.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -89.2 37.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -117.58 150.5 38.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.6 m -86.21 -46.45 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.162 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -55.47 178.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.424 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 1.5 m120 -91.35 -179.49 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.76 157.91 27.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.51 115.34 5.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.535 HD12 ' HD2' ' A' ' 27' ' ' PHE . 17.6 mt -105.87 119.74 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 53' ' ' GLU . 15.6 mt -99.4 140.72 18.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.9 mtm -129.86 167.98 17.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.25 169.75 15.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.7 mt -114.64 131.16 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -73.35 -175.66 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.44 -37.37 8.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -98.23 -54.59 3.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -54.07 -36.39 63.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 54.27 49.59 18.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 15' ' ' ASP . 8.0 tp -150.13 141.74 23.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HD21 ' A' ' 117' ' ' LEU . 22.9 t -70.84 106.43 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 26.8 m -111.28 158.03 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.2 tm? -64.95 129.21 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -91.49 -46.35 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.644 ' CG ' HD12 ' A' ' 39' ' ' ILE . 11.0 pt-20 -173.83 163.71 4.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -121.22 124.38 44.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.696 ' HB3' HG11 ' A' ' 58' ' ' VAL . 47.9 mt -109.7 131.36 55.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 58' ' ' VAL . 15.1 mp0 -117.31 155.11 30.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 37.82 59.53 1.36 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.517 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.696 HG11 ' HB3' ' A' ' 55' ' ' LEU . 18.2 m -116.43 175.6 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -126.15 161.44 51.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.652 0.739 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.745 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.8 Cg_endo -69.79 -10.35 28.32 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.235 . . . . 0.0 112.351 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.87 -33.07 12.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -91.66 -32.68 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 55' ' ' LEU . 23.0 tp -53.94 -53.05 58.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.699 ' HA ' HD12 ' A' ' 67' ' ' LEU . 2.6 pttt -51.05 -33.77 26.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 7.2 t0 -62.71 -32.83 74.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.813 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -86.52 18.85 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 64' ' ' LYS . 19.4 mt -124.3 152.07 67.25 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.583 0.706 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 137.54 35.63 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.363 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.69 12.68 30.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -121.87 -30.8 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -126.85 151.23 73.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 140.78 43.64 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -142.36 157.71 44.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.771 ' C ' HD12 ' A' ' 75' ' ' ILE . 20.2 m-85 -98.71 139.43 34.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.771 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.1 mp -148.64 135.64 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 92.9 t -119.62 99.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.424 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 75.4 t80 -103.69 159.64 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.1 t -131.48 94.66 3.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CD1' HD23 ' A' ' 140' ' ' LEU . 57.2 t80 -66.03 169.79 6.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.486 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 62.3 tttt -114.92 97.33 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.922 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -87.38 100.3 12.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.423 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 41.5 tp60 -88.79 138.44 31.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -102.87 133.77 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -43.51 -41.59 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -50.0 -46.71 52.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.34 -31.35 1.28 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 ttm-85 -73.73 143.25 46.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.423 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 3.2 p -142.81 130.67 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -126.99 159.67 33.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -109.97 94.73 18.35 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.698 0.761 . . . . 0.0 110.885 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.3 Cg_endo -69.82 123.26 9.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.324 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.857 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.3 mm? -77.43 124.89 28.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.435 ' SG ' HD21 ' A' ' 144' ' ' LEU . 32.8 m -130.56 158.69 39.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 114' ' ' LYS . 4.6 t80 -106.52 113.88 27.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.9 mt -102.89 100.93 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -82.06 96.1 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 23.8 t -72.39 96.07 1.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.0 p -116.29 101.13 53.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 126.9 13.87 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 130' ' ' ARG . 11.9 t -48.27 -28.78 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.89 24.07 3.48 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 20.5 p -100.32 161.22 13.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.0 ptmt -96.02 156.33 37.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.41 ' HA ' ' HB2' ' A' ' 107' ' ' GLN . 53.7 Cg_endo -69.74 -46.48 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -46.46 -29.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.417 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 25.6 mm-40 -92.47 -40.1 11.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.559 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.1 mm100 -50.01 -37.09 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -69.17 -39.96 78.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.544 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 44.2 ttp -61.43 -47.6 85.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.544 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 86.8 m-85 -79.97 -32.6 39.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -58.06 -66.72 0.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.28 -43.61 93.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.0 m -61.59 -42.39 98.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 12.3 ttpt -47.22 -57.62 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.7 t-20 -35.03 -66.7 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -40.33 -48.01 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.503 HD21 HG21 ' A' ' 49' ' ' VAL . 8.4 mt -53.75 -53.49 51.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.5 t -52.18 -17.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -95.22 -34.78 12.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.468 ' CG2' HG13 ' A' ' 21' ' ' VAL . 26.8 m -70.22 -42.57 72.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.579 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -83.96 -2.22 56.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.086 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 57.8 52.83 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.598 HD23 ' HB3' ' A' ' 92' ' ' LEU . 4.9 mt -103.98 132.28 50.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 28.1 p -95.65 -37.03 11.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -89.34 129.36 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 57.7 t -138.17 113.1 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 9.9 m-85 -121.74 140.69 52.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.66 134.09 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' ' 129' ' ' ILE . 32.5 pt -108.42 129.97 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.715 ' O ' HG23 ' A' ' 100' ' ' VAL . 24.6 ptt180 -69.35 -17.3 63.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -149.97 129.78 13.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.9 p -45.15 -30.96 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -60.35 -42.19 95.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.581 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 4.3 t0 -46.01 -44.71 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.745 HD22 ' O ' ' A' ' 60' ' ' PRO . 2.2 tt -53.02 96.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 81.5 p -142.9 157.93 44.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -44.23 -52.76 7.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -59.96 -55.61 31.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.581 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 39.0 t90 -48.95 -43.0 39.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.519 HD23 ' CD1' ' A' ' 79' ' ' TYR . 10.9 tp -53.46 -61.64 2.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -55.77 -26.65 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -64.86 -43.61 92.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.67 -38.0 73.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.435 HD21 ' SG ' ' A' ' 93' ' ' CYS . 55.4 mt -69.25 -34.94 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -109.62 42.15 2.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.8 t -90.79 39.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.47 140.85 6.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 96.24 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 41.7 t -49.76 -19.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 28.4 p -92.32 134.77 34.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 p -73.47 150.59 41.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -50.91 -58.89 4.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 56.08 164.1 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -81.16 113.56 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -155.28 175.84 13.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.64 -130.71 6.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.554 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -57.16 125.92 24.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -134.72 79.87 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 m 40.46 52.33 2.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' A' ' 108' ' ' MET . 22.7 mt -79.19 160.34 26.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.7 t -113.9 99.15 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.158 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 47.6 t -94.06 134.46 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 90.3 m -113.46 -175.26 2.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 4.7 m-20 -108.09 168.1 9.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG12 HD22 ' A' ' 117' ' ' LEU . 15.3 m -98.97 124.4 52.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.499 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -64.39 127.5 31.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.102 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -53.13 -38.97 63.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.49 -30.48 67.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 tp -85.63 -53.88 4.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.603 HG22 HG21 ' A' ' 120' ' ' THR . 25.0 t -41.29 -51.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.437 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.8 pt-20 -43.76 -44.39 6.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 43.9 mttt -62.92 -56.49 16.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 121' ' ' ALA . 79.3 mt -49.79 -44.44 49.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 33.2 mtm180 -53.91 -44.07 70.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 30' ' ' ARG . 19.2 mmtm -65.76 -46.31 79.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.963 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -37.08 -51.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -63.46 -48.28 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.916 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.404 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.6 m-85 -97.89 36.57 1.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 26' ' ' LYS . 3.4 ptm85 -75.91 127.78 33.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.42 35.87 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.8 mm-40 -121.63 146.47 46.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.469 HG23 ' OH ' ' A' ' 90' ' ' TYR . 96.5 m -89.48 -37.74 14.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 2.7 p-80 -58.24 -177.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -96.63 179.62 4.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.573 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -164.65 170.06 16.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -157.67 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.0 mt -111.06 122.62 65.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.724 HD12 ' HG3' ' A' ' 53' ' ' GLU . 14.6 mt -102.93 145.91 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 12.4 mtm -137.68 145.06 42.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -136.37 162.94 31.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.88 138.41 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -95.74 -175.68 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -108.45 -5.31 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -111.53 -67.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 47' ' ' ARG . 15.1 mm-40 -61.85 -11.41 12.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.76 43.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 15' ' ' ASP . 1.4 tp -141.12 140.69 34.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.488 ' O ' ' CB ' ' A' ' 17' ' ' ALA . 27.5 t -70.95 119.51 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.46 161.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.69 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.6 tm? -71.87 123.45 22.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -86.56 -45.94 10.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.724 ' HG3' HD12 ' A' ' 39' ' ' ILE . 13.5 pt-20 -173.74 163.11 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 6.4 mt-10 -123.54 126.91 47.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.707 ' HB3' HG11 ' A' ' 58' ' ' VAL . 15.2 mt -111.72 131.13 55.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mp0 -114.57 153.96 29.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.22 60.27 1.66 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.707 HG11 ' HB3' ' A' ' 55' ' ' LEU . 16.4 m -117.23 178.69 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.811 0.339 . . . . 0.0 111.13 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -129.35 162.1 54.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.667 0.746 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.524 ' O ' HD22 ' A' ' 135' ' ' LEU . 53.7 Cg_endo -69.78 -9.49 26.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -94.93 -31.31 13.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -93.35 -29.75 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.8 tp -58.95 -54.1 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -51.4 -28.48 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.53 -29.14 67.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -90.88 10.66 25.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 75' ' ' ILE . 39.4 mt -115.59 150.96 45.6 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.631 0.729 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 133.21 24.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -103.16 18.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.7 mtm-85 -128.65 -31.12 2.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -124.23 148.01 56.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 54.3 Cg_endo -69.74 129.5 17.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.721 2.281 . . . . 0.0 112.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 13.9 tpp180 -133.09 157.26 45.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.816 ' C ' HD12 ' A' ' 75' ' ' ILE . 20.8 m-85 -98.21 135.22 40.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.816 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.3 mp -148.69 129.41 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.3 100.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -94.28 144.9 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.612 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 47.8 t -112.03 94.66 5.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.857 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.61 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 67.8 t80 -79.63 169.55 17.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.784 ' CE ' HG21 ' A' ' 88' ' ' VAL . 59.9 tttt -112.19 127.21 55.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -115.47 97.51 6.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 10.7 tm0? -82.67 137.29 34.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.476 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 96.1 m-70 -104.18 141.52 36.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.51 -59.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -42.29 -42.46 3.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.5 -33.01 1.7 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 83' ' ' HIS . 18.2 tpp180 -59.01 141.95 52.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.784 HG21 ' CE ' ' A' ' 80' ' ' LYS . 4.0 p -145.61 132.57 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.0 t -130.32 160.53 33.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -109.84 87.78 6.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.671 0.748 . . . . 0.0 110.923 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 109.98 2.44 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.963 HD21 ' CD1' ' A' ' 27' ' ' PHE . 7.6 mp -78.22 124.6 28.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 57.3 m -121.69 158.36 28.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.482 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 18.0 t80 -96.82 110.98 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.9 mt -101.01 101.09 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -82.77 93.29 7.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.41 ' O ' ' HA ' ' A' ' 72' ' ' PRO . 91.4 p -69.9 94.23 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 98.5 p -114.15 101.85 54.36 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.687 0.756 . . . . 0.0 110.895 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.79 119.37 6.33 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.647 2.231 . . . . 0.0 112.351 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.401 HG11 ' HD2' ' A' ' 130' ' ' ARG . 33.5 m -39.39 -36.4 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.61 27.94 2.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 99' ' ' PRO . 14.8 p -94.8 161.99 13.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.455 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 6.6 ptmt -95.85 155.43 38.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.547 0.689 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.15 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.761 2.307 . . . . 0.0 112.354 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -40.83 -30.8 0.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.455 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 29.4 mm-40 -92.45 -48.42 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.887 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.1 mm100 -42.73 -32.93 0.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.41 ' HB3' HD23 ' A' ' 11' ' ' LEU . 4.3 mtm -70.77 -53.33 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.0 ttp -55.17 -44.66 75.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 68.9 m-85 -75.42 -44.97 41.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -49.95 -69.92 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -53.17 -56.6 18.36 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.3 m -49.08 -41.66 36.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.396 . . . . 0.0 110.852 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.482 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 11.8 ttpt -48.95 -59.45 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.92 -65.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.554 ' HE2' HG22 ' A' ' 16' ' ' VAL . 12.3 tttt -44.46 -49.29 9.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.637 HD22 HG12 ' A' ' 16' ' ' VAL . 5.7 mt -50.29 -50.97 48.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 71.3 t -52.87 -20.09 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -94.04 -34.45 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.603 HG21 HG22 ' A' ' 21' ' ' VAL . 55.0 m -67.39 -44.32 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.803 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -84.68 -2.45 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 56.47 48.52 16.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 8.6 mt -99.04 132.7 44.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.2 p -92.3 -46.2 7.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.6 mppt? -82.91 123.25 29.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.928 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.9 t -130.81 108.9 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.589 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -113.63 148.07 36.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -129.38 130.32 45.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 9.5 pt -104.63 134.38 46.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 9.7 ptt-85 -68.95 -29.1 67.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 130' ' ' ARG . 4.0 m-20 -144.82 138.46 27.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 22.7 p -46.87 -35.74 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -56.23 -36.12 68.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.478 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.59 -41.94 74.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.524 HD22 ' O ' ' A' ' 60' ' ' PRO . 1.8 tt -52.78 95.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 72.7 p -142.26 160.33 40.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.73 -56.28 10.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -54.11 -40.77 67.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.478 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 41.7 t90 -60.95 -42.73 98.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 79' ' ' TYR . 11.4 mt -53.94 -70.29 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.5 mtp85 -45.14 -29.6 0.96 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -63.57 -45.92 88.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.589 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.4 mmmt -70.19 -41.48 73.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 63.5 mt -66.1 -37.23 85.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -114.18 63.34 0.31 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.483 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 35.8 p -117.7 83.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 61.18 140.35 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 92.56 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.677 2.251 . . . . 0.0 112.307 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.1 t -62.9 120.68 11.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 46.5 m -113.38 135.26 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.3 p -85.83 165.32 16.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 0.0 110.896 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -139.26 173.04 11.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.67 -61.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.549 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t 59.79 42.86 16.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -118.32 130.02 55.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.15 102.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.8 t -159.74 112.56 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.03 40.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 51.2 p -99.25 86.46 3.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.5 mt -82.05 141.31 33.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.1 t -108.32 97.89 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 46.0 t -99.84 130.48 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.66 -174.76 2.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.494 ' HB2' ' CD2' ' A' ' 48' ' ' LEU . 1.7 m-20 -113.16 172.46 6.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.561 HG22 ' HE3' ' A' ' 116' ' ' LYS . 35.5 m -106.43 130.64 57.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.649 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -72.69 136.91 45.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -50.67 -47.4 58.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.34 -21.74 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.792 HD11 ' HG2' ' A' ' 40' ' ' MET . 1.6 tt -91.35 -54.1 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.675 HG13 ' CG2' ' A' ' 120' ' ' THR . 19.4 t -44.59 -54.87 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 10.9 pt-20 -44.38 -41.77 6.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.503 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 3.4 mtpp -63.13 -48.49 78.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 121' ' ' ALA . 83.7 mt -56.07 -44.31 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -56.18 -47.88 77.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 30' ' ' ARG . 27.5 mmtt -62.82 -37.91 88.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.02 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -48.88 -49.99 37.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.609 HH21 HD23 ' A' ' 92' ' ' LEU . 1.1 mmp_? -66.51 -46.0 77.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -95.4 30.93 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.4 ptm180 -69.93 122.52 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -87.46 37.64 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -115.67 152.1 33.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.8 m -92.17 -40.46 11.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -63.0 175.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.61 178.97 8.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.86 159.97 21.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -154.33 121.69 5.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.604 HD12 ' HD2' ' A' ' 27' ' ' PHE . 33.5 mt -110.26 114.04 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.975 HD12 ' CG ' ' A' ' 53' ' ' GLU . 17.7 mt -92.28 144.26 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.792 ' HG2' HD11 ' A' ' 20' ' ' LEU . 12.4 mtm -137.02 147.17 46.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HE3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -142.28 169.81 16.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.7 mt -112.59 136.21 49.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -59.03 -179.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -97.34 -20.43 17.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -130.38 -56.05 1.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.79 -32.17 8.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 60.1 mmt-85 54.83 54.86 8.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.649 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -139.8 132.27 28.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' CD1' ' A' ' 20' ' ' LEU . 18.6 t -71.34 116.22 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.592 ' CA ' HD12 ' A' ' 20' ' ' LEU . 33.6 m -124.84 154.4 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.515 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.0 tm? -58.58 130.95 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' N ' HD22 ' A' ' 51' ' ' LEU . 12.9 t0 -98.26 -43.43 6.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.975 ' CG ' HD12 ' A' ' 39' ' ' ILE . 14.2 pt-20 -174.31 154.53 2.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -116.81 120.38 38.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.727 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.2 mp -103.31 123.19 46.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -107.39 150.04 27.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.19 58.88 1.9 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.727 HG11 ' HB3' ' A' ' 55' ' ' LEU . 14.6 m -115.68 168.32 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.828 0.347 . . . . 0.0 111.116 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 m -112.12 162.04 23.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.664 0.745 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.537 ' HB3' HD11 ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.8 -17.48 37.36 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.305 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -95.37 -18.07 21.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -97.52 -26.96 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD11 HG21 ' A' ' 75' ' ' ILE . 12.6 tp -64.83 -55.45 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.729 ' HB3' HD23 ' A' ' 135' ' ' LEU . 4.5 pttp -44.94 -33.46 2.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -38.57 91.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HG3' HD21 ' A' ' 55' ' ' LEU . 4.0 mm-40 -82.1 14.16 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.447 ' CD2' HG12 ' A' ' 75' ' ' ILE . 42.7 mt -119.05 152.26 51.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.6 0.714 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 134.44 27.96 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -103.81 20.95 17.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -134.75 -34.24 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -118.3 147.44 41.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.614 0.721 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.75 131.95 22.33 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.325 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 12.8 tpp180 -135.43 157.63 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.66 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.4 m-85 -99.99 133.37 44.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 75' ' ' ILE . 1.1 mp -147.61 131.12 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -112.51 100.06 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -98.89 155.62 17.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.2 t -125.77 95.02 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 49.4 t80 -63.28 170.44 2.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 66.0 tttt -116.94 91.66 3.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -83.48 100.59 10.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.433 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 22.6 tp60 -88.15 139.19 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -105.74 139.25 40.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -47.12 -47.78 23.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 84' ' ' ASP . 5.4 t70 -42.72 -35.49 1.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 133.79 -27.44 3.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.4 ttt-85 -78.23 144.38 36.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.433 ' HB ' ' CD ' ' A' ' 82' ' ' GLN . 2.4 p -139.2 130.13 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.2 t -120.74 163.03 18.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -118.96 92.42 45.01 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.66 0.743 . . . . 0.0 110.94 -179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.79 126.06 12.85 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.681 2.254 . . . . 0.0 112.318 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.02 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.0 mm? -77.4 125.36 29.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 13.5 m -130.88 148.43 52.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.749 ' HB2' HD13 ' A' ' 123' ' ' LEU . 7.1 t80 -99.64 109.44 21.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.45 HD13 ' CD1' ' A' ' 135' ' ' LEU . 51.5 mt -95.63 101.34 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -77.59 89.39 3.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.3 t -71.58 102.32 2.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.405 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 57.8 p -126.61 101.28 27.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.701 0.763 . . . . 0.0 110.862 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 54.3 Cg_endo -69.69 115.19 3.97 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.695 2.263 . . . . 0.0 112.366 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.44 HG23 ' H ' ' A' ' 100' ' ' VAL . 6.3 t -42.96 -25.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.088 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 16.3 8.4 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 99' ' ' PRO . 12.4 p -97.25 161.57 13.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 156.03 52.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.558 0.694 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -47.9 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -43.54 -28.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.484 ' OE1' ' CE ' ' A' ' 109' ' ' MET . 25.2 mm-40 -92.42 -44.73 8.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.0 mm100 -45.75 -33.08 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.3 mtm -72.88 -36.88 67.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.556 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 56.2 ttp -64.68 -44.04 91.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 86.4 m-85 -82.59 -41.04 20.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -47.27 -69.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.49 -55.68 28.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.7 m -47.13 -37.3 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.956 0.408 . . . . 0.0 110.911 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 115' ' ' ASN . 14.6 ttpt -52.4 -56.94 11.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.4 t-20 -34.92 -63.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.561 ' HE3' HG22 ' A' ' 16' ' ' VAL . 1.3 tttp -45.38 -49.8 12.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.459 HD11 ' CD2' ' A' ' 74' ' ' PHE . 5.6 mt -49.76 -55.58 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.4 t -48.93 -20.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -95.72 -33.56 12.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.675 ' CG2' HG13 ' A' ' 21' ' ' VAL . 74.6 m -71.63 -37.73 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.84 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -88.89 -5.59 57.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 58.23 53.95 6.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.749 HD13 ' HB2' ' A' ' 94' ' ' PHE . 13.2 mt -105.82 138.34 42.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 35.8 p -99.82 -35.06 9.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.9 OUTLIER -93.71 120.83 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.9 t -127.46 107.61 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 8.1 m-85 -112.56 150.87 30.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -129.16 140.95 51.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' A' ' 135' ' ' LEU . 21.9 pt -117.99 134.43 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.574 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 16.3 ptt180 -62.98 -32.65 74.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.574 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 5.8 m-20 -147.41 144.96 29.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 17.5 p -49.15 -29.97 6.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.86 -41.71 87.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -37.8 64.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.729 HD23 ' HB3' ' A' ' 64' ' ' LYS . 59.4 tp -57.07 93.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.5 p -141.45 165.16 28.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.17 -59.38 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.9 -41.8 58.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 52.7 t90 -59.94 -42.2 93.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 60' ' ' PRO . 11.4 mt -55.63 -61.82 2.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 15.4 mtp-105 -52.54 -21.87 4.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -72.77 -43.5 62.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.514 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.14 -41.42 73.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.866 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 26.4 mt -71.02 -37.28 72.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -56.62 -56.99 21.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.495 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 28.1 m -142.58 113.44 7.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -135.18 -131.34 3.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.551 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.78 3.23 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 34.2 t -79.37 145.68 33.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 48.2 t -66.39 142.88 57.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m -116.2 99.47 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -148.59 122.55 9.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.62 140.98 11.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -136.0 168.42 19.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -169.24 133.31 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.39 -108.48 0.26 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.2 p -96.58 116.06 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -66.34 81.41 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -130.71 119.01 21.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -118.8 167.37 11.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.54 96.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 p -104.5 150.91 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.3 m -135.0 -179.04 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.468 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -100.73 172.27 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 16' ' ' VAL . 15.8 m -103.08 119.81 52.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.081 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -57.36 123.91 17.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -51.32 -36.27 41.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.82 -35.34 74.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 40' ' ' MET . 2.4 tp -83.45 -53.38 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 17' ' ' ALA . 40.5 t -39.78 -49.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.071 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.0 pt-20 -43.73 -43.32 5.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 34.9 mttp -66.82 -51.19 58.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD13 ' HB2' ' A' ' 121' ' ' ALA . 77.4 mt -53.42 -45.32 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -53.55 -47.57 69.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' ARG . 30.3 mmtt -64.84 -42.35 94.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.89 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -39.78 -54.55 2.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -58.83 -48.69 80.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -98.01 36.55 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.5 ptm85 -73.17 123.94 24.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -86.01 38.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 10.6 mm-40 -119.22 149.78 41.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 98.2 m -91.17 -44.48 9.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 9.3 p-80 -54.45 176.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.56 174.51 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.05 27.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.811 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -153.2 115.64 4.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.08 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.518 HD12 ' HD2' ' A' ' 27' ' ' PHE . 22.7 mt -104.43 125.17 59.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.949 HD12 ' CG ' ' A' ' 53' ' ' GLU . 18.1 mt -103.61 147.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.453 ' HG2' ' CD2' ' A' ' 20' ' ' LEU . 13.5 mtm -137.6 153.65 49.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 164.75 32.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.7 mt -119.57 134.61 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.15 -174.19 5.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -103.03 -10.41 18.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -121.15 -46.69 2.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 47' ' ' ARG . 5.6 mm-40 -61.31 -16.5 46.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.07 38.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.2 tp -147.99 140.06 24.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.532 HG21 HD11 ' A' ' 117' ' ' LEU . 46.2 t -69.36 118.47 13.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.7 m -119.8 159.49 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.642 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.9 tm? -68.27 131.96 46.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.475 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.0 t0 -100.75 -44.76 5.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.949 ' CG ' HD12 ' A' ' 39' ' ' ILE . 9.1 pt-20 -171.87 166.67 6.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.7 mt-10 -127.92 132.0 49.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.811 ' HB2' ' HB3' ' A' ' 37' ' ' ALA . 3.3 mm? -105.73 134.75 48.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' GLY . 46.8 mt-10 -120.02 142.43 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.38 49.54 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.785 HG11 HD12 ' A' ' 55' ' ' LEU . 10.9 m -103.05 179.11 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.125 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -127.38 162.12 50.47 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.849 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.48 ' O ' HD22 ' A' ' 135' ' ' LEU . 54.1 Cg_endo -69.76 -8.28 23.2 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.21 -27.27 15.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -97.19 -31.11 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 HG21 ' A' ' 75' ' ' ILE . 28.5 tp -58.37 -52.87 63.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 67' ' ' LEU . 4.9 pttt -49.23 -23.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -74.17 -32.88 63.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -84.43 14.14 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.4 mt -122.84 151.54 61.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 144.24 53.5 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.57 9.94 23.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 25.5 mtm105 -121.17 -25.88 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -130.13 152.39 80.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 141.91 46.45 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.711 2.274 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -143.78 156.88 44.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.829 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.3 m-85 -98.26 138.83 34.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.829 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -149.35 131.34 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.5 99.58 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.156 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -101.58 158.07 16.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 32.0 t -131.46 94.55 3.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.485 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 56.8 t80 -68.25 169.64 10.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 64.9 tttt -115.17 100.58 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.462 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.7 t80 -88.41 98.91 11.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 9.8 tm0? -87.65 133.78 33.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 72.1 m-70 -102.07 132.83 47.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -39.44 -50.39 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.63 -46.23 10.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 146.49 -36.18 1.28 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.67 139.85 58.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.847 0.356 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 81' ' ' TYR . 3.5 p -142.99 136.24 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.7 m -133.34 153.03 51.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 94.41 7.64 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.0 Cg_endo -69.75 123.35 10.02 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.73 2.287 . . . . 0.0 112.317 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.89 HD11 ' CD1' ' A' ' 27' ' ' PHE . 3.1 mm? -77.36 122.76 25.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.453 ' SG ' HD21 ' A' ' 144' ' ' LEU . 17.3 m -127.82 153.85 46.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.895 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -102.34 109.32 20.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.09 100.93 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -82.13 92.68 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 35.0 t -78.43 102.94 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -122.93 101.22 39.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 115.5 4.12 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.8 t -43.92 -26.25 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 22.51 3.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.1 p -105.06 161.81 13.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.887 0.375 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 157.37 58.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -44.8 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -47.56 -25.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -93.98 -40.83 9.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -48.26 -37.3 15.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 2.5 mtm -73.34 -43.55 60.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.536 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 59.6 ttp -56.63 -33.89 66.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.536 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 64.0 m-85 -93.77 -37.08 11.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -53.92 -69.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.08 -50.75 57.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.407 ' O ' HD13 ' A' ' 117' ' ' LEU . 1.9 m -54.5 -41.19 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.876 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.3 ttpt -47.84 -61.13 2.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.465 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.24 -58.63 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -49.31 -53.68 20.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.538 ' CD2' ' CD2' ' A' ' 74' ' ' PHE . 1.5 mp -48.63 -55.32 11.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 79.7 t -45.41 -27.24 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -89.09 -38.82 14.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 17.8 m -65.31 -45.21 85.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.553 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -80.97 -1.76 45.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 57.5 48.83 13.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.895 HD13 ' HB2' ' A' ' 94' ' ' PHE . 7.5 mt -98.06 129.42 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.0 p -90.94 -46.93 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -89.36 128.74 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 79.7 t -129.46 112.64 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.5 m-85 -116.53 140.71 49.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -120.83 139.75 52.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.51 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 22.9 pt -117.36 136.06 55.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.534 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 20.3 ptt180 -64.9 -32.26 73.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.534 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 4.6 m-20 -146.64 140.86 26.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -45.03 -33.43 2.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -54.42 -41.3 69.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -40.73 66.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.48 HD22 ' O ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -56.31 89.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 82.7 p -136.85 163.59 30.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -49.08 -58.1 5.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -54.07 -51.16 64.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.51 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 34.7 t90 -54.72 -41.48 70.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 79' ' ' TYR . 11.7 tp -54.21 -65.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -53.65 -27.46 27.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -62.6 -42.66 99.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 4.9 mmmt -69.66 -39.11 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.453 HD21 ' SG ' ' A' ' 93' ' ' CYS . 68.7 mt -71.9 -33.99 68.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.43 49.15 1.49 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.453 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 37.6 m -106.59 82.82 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.916 0.388 . . . . 0.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.24 140.9 8.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.441 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 91.81 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.7 t -126.86 149.23 49.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 41.2 t -107.81 144.42 35.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -85.69 125.46 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.391 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 m -91.84 -52.41 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.15 88.4 1.08 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -80.96 140.23 35.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -119.87 -55.69 2.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.829 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.7 -116.87 0.55 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.2 p -115.67 132.71 56.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -153.83 106.74 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.4 m 63.22 44.47 5.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' CD2' ' HB3' ' A' ' 108' ' ' MET . 11.1 mt -86.46 153.74 21.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.808 HG12 ' HA ' ' A' ' 109' ' ' MET . 10.3 p -127.39 95.28 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.23 138.02 20.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.1 m -129.53 168.91 15.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.655 ' HB2' HD11 ' A' ' 48' ' ' LEU . 12.6 m-20 -95.64 163.93 12.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 16' ' ' VAL . 22.5 m -96.12 122.49 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' CB ' HG12 ' A' ' 50' ' ' VAL . . . -58.93 133.41 56.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -49.14 -45.11 43.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -23.87 55.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.651 HD21 ' HG2' ' A' ' 40' ' ' MET . 1.3 tt -86.15 -55.14 4.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' CG2' ' A' ' 120' ' ' THR . 12.2 t -45.4 -59.81 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.118 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 7.1 pt-20 -37.82 -39.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 20.3 mttp -68.75 -42.65 77.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 121' ' ' ALA . 53.1 mt -62.62 -53.14 59.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -47.9 -50.91 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 30' ' ' ARG . 14.9 mmtt -61.68 -37.05 82.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.95 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -49.29 -55.16 13.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -63.33 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -95.37 30.2 2.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.0 ptm85 -66.77 125.22 25.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -93.5 42.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' OE1' ' NH2' ' A' ' 30' ' ' ARG . 48.3 mt-10 -117.21 177.96 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.934 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 87.5 m -115.89 -35.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.44 ' NE2' ' OE1' ' A' ' 32' ' ' GLU . 7.7 p-80 -70.62 176.51 4.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.439 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.5 m120 -84.87 177.23 8.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -160.68 161.68 32.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -150.89 120.96 7.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.39 114.38 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.036 HD12 ' CG ' ' A' ' 53' ' ' GLU . 47.1 mt -94.28 146.11 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.651 ' HG2' HD21 ' A' ' 20' ' ' LEU . 15.4 mtm -140.79 159.13 42.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.782 ' HZ3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -157.78 170.48 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.4 mt -111.36 135.42 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.02 177.94 6.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -98.24 -56.15 2.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -73.37 -30.41 63.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.471 ' O ' ' C ' ' A' ' 47' ' ' ARG . 7.3 mt-10 -94.08 -17.9 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.61 43.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 15' ' ' ASP . 9.1 tp -140.05 139.37 35.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.539 HG12 ' CD1' ' A' ' 20' ' ' LEU . 19.7 t -67.84 114.93 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.113 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.782 HG23 ' HZ3' ' A' ' 41' ' ' LYS . 12.1 m -122.57 160.38 24.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.744 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.9 tm? -64.86 127.33 31.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.539 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 14.7 t0 -91.78 -47.25 7.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 1.036 ' CG ' HD12 ' A' ' 39' ' ' ILE . 10.1 pt-20 -171.51 144.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -111.67 123.7 50.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.643 ' HB3' HG11 ' A' ' 58' ' ' VAL . 3.5 mt -112.92 139.41 48.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -122.7 151.04 41.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.68 48.67 28.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG11 ' HB3' ' A' ' 55' ' ' LEU . 5.8 m -109.57 176.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 111.14 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -125.03 161.43 49.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.83 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -15.42 37.09 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -94.75 -25.89 16.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.19 -24.56 15.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.473 HD21 HG21 ' A' ' 75' ' ' ILE . 15.8 tp -66.54 -51.75 53.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' CB ' HD23 ' A' ' 135' ' ' LEU . 5.9 pttp -48.51 -27.98 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -65.5 -35.93 82.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -84.26 14.72 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.456 HD13 HG12 ' A' ' 75' ' ' ILE . 16.2 mt -118.29 149.77 46.49 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.659 0.742 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 53.5 Cg_endo -69.72 127.91 15.3 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -94.92 7.8 44.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -123.17 -34.04 3.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -115.87 143.14 30.22 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.76 126.23 13.07 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.325 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 12.9 tpp180 -129.14 158.01 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.744 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.2 m-85 -98.18 139.91 33.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.762 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -148.57 146.18 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.495 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 54.4 t -130.85 99.97 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.439 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 82.9 t80 -101.46 154.48 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.5 t -126.34 95.04 4.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.563 ' HB2' HD21 ' A' ' 140' ' ' LEU . 64.0 t80 -67.43 169.8 8.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.5 tttt -115.12 99.4 7.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.513 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.6 t80 -89.63 101.78 14.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.439 ' CD ' ' N ' ' A' ' 83' ' ' HIS . 2.2 tm0? -86.24 135.44 33.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.439 ' N ' ' CD ' ' A' ' 82' ' ' GLN . 91.6 m-70 -102.9 134.7 45.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -39.94 -55.15 2.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.82 -39.26 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.28 -31.68 2.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -69.61 146.95 51.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.513 HG23 ' C ' ' A' ' 81' ' ' TYR . 3.9 p -144.2 130.6 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.5 p -125.48 150.75 47.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.3 OUTLIER -105.1 92.92 5.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.675 0.75 . . . . 0.0 110.913 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.1 Cg_endo -69.76 121.16 7.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.314 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.95 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.78 123.85 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.615 ' SG ' HD21 ' A' ' 144' ' ' LEU . 3.5 m -126.11 159.22 33.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.904 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.4 t80 -106.49 117.34 33.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.1 mt -107.37 101.8 13.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.28 91.6 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 t -69.98 101.57 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 2.6 t -127.96 102.27 22.13 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.673 0.749 . . . . 0.0 110.859 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.5 Cg_endo -69.76 128.13 15.59 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.638 2.226 . . . . 0.0 112.338 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.435 HG22 ' OD1' ' A' ' 131' ' ' ASN . 35.8 m -48.45 -32.55 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.25 2.39 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 2.0 p -102.07 158.13 16.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.929 0.395 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -86.68 155.39 56.25 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.545 0.688 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 108' ' ' MET . 54.0 Cg_endo -69.75 -50.47 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.646 2.231 . . . . 0.0 112.353 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -41.26 -30.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.6 mm-40 -88.36 -51.05 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.425 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -43.33 -33.42 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.419 ' HB3' ' CD2' ' A' ' 11' ' ' LEU . 0.7 OUTLIER -83.87 -27.67 28.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.919 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.808 ' HA ' HG12 ' A' ' 12' ' ' VAL . 37.4 ttp -68.63 -42.3 78.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.504 ' CE2' ' HE2' ' A' ' 109' ' ' MET . 57.2 m-85 -83.38 -48.11 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -38.49 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -45.0 -46.23 9.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -68.01 -25.7 65.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.398 . . . . 0.0 110.862 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 115' ' ' ASN . 8.7 ttpp -60.08 -58.55 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.429 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.5 t-20 -35.34 -63.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -43.14 -50.1 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.6 mt -50.16 -51.21 45.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.33 -19.52 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -93.39 -34.12 13.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.5 ' CG2' HG13 ' A' ' 21' ' ' VAL . 8.1 m -70.58 -53.15 17.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.84 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -73.44 -6.45 46.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 58.16 53.49 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.904 HD13 ' HB2' ' A' ' 94' ' ' PHE . 13.7 mt -95.48 144.65 25.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.19 -34.18 7.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -103.58 118.27 36.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.38 110.44 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 8.6 m-85 -112.6 154.5 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -130.9 142.86 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.557 HD13 ' HB2' ' A' ' 135' ' ' LEU . 21.0 pt -117.49 138.2 48.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.442 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 11.2 ptt180 -70.06 -26.12 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.435 ' OD1' HG22 ' A' ' 100' ' ' VAL . 1.6 m-80 -153.49 134.34 13.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 56.2 p -40.53 -29.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.74 -44.89 90.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -52.16 -36.95 53.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.557 ' HB2' HD13 ' A' ' 129' ' ' ILE . 53.9 tp -61.33 87.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.6 p -130.84 178.18 6.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -58.4 -62.82 1.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -51.5 -56.68 12.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.494 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 41.9 t90 -47.69 -33.63 7.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 79' ' ' TYR . 13.8 tp -64.34 -61.8 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 35.2 mtp180 -58.38 -17.8 23.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -70.92 -41.13 71.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.52 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -70.22 -38.41 75.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.615 HD21 ' SG ' ' A' ' 93' ' ' CYS . 72.5 mt -74.07 -31.44 62.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.47 -48.53 23.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 68.4 m -151.84 107.91 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.934 0.397 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -96.95 -146.96 21.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 168.44 21.62 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.63 2.22 . . . . 0.0 112.372 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 2.0 t -101.4 126.29 48.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 49.6 m -59.33 147.29 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -120.82 163.35 18.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.855 0.359 . . . . 0.0 110.887 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 p -66.33 167.29 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.04 156.25 20.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.498 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.5 p -113.6 112.94 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.921 0.391 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.3 p -104.8 149.5 25.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.01 -45.24 0.46 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 92.6 p -108.12 162.72 13.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -109.54 95.86 5.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.3 m -127.41 144.72 51.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.4 mt -107.97 145.18 34.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.4 t -109.57 103.6 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.588 HG13 ' HA ' ' A' ' 113' ' ' SER . 78.5 t -104.01 146.82 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 p -127.96 152.5 47.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' LEU . 5.3 m-20 -87.88 160.0 18.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' ' 120' ' ' THR . 32.7 m -92.97 119.38 40.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.536 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -61.5 141.65 57.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.109 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.3 -46.2 72.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -50.92 -31.22 16.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 10.5 tp -85.01 -52.98 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 17' ' ' ALA . 29.7 t -44.77 -52.06 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 4.9 pt-20 -42.61 -44.28 4.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 33.1 mttt -65.01 -53.89 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.2 mt -51.27 -45.47 62.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -52.7 -46.47 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' ARG . 21.3 mmtm -64.32 -42.06 96.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.939 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -42.4 -49.52 5.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.1 OUTLIER -64.47 -50.26 68.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -95.93 36.86 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' NH2' ' CD ' ' A' ' 32' ' ' GLU . 4.3 ptm85 -74.55 125.42 28.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -89.66 39.32 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.49 ' CD ' ' NH2' ' A' ' 30' ' ' ARG . 10.6 mt-10 -118.47 146.3 44.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.9 m -87.02 -39.7 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -60.48 179.58 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -89.06 175.12 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -157.45 160.74 38.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -156.95 116.82 3.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' HD2' ' A' ' 27' ' ' PHE . 34.1 mt -105.32 119.5 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.672 HD12 ' HG3' ' A' ' 53' ' ' GLU . 15.6 mt -97.51 140.86 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.466 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 15.0 mtm -136.31 133.79 37.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -124.5 173.66 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 54.9 mt -118.03 136.98 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -79.82 -176.57 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 -21.53 13.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -117.76 -51.26 2.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 47' ' ' ARG . 0.5 OUTLIER -57.74 -14.92 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 31.67 46.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.9 tp -145.47 136.49 24.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.95 121.1 17.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.402 HG23 ' HE3' ' A' ' 41' ' ' LYS . 35.5 m -124.66 158.04 32.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.725 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.4 tm? -71.8 129.78 39.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.538 ' N ' HD13 ' A' ' 51' ' ' LEU . 11.8 t0 -93.97 -47.1 6.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.672 ' HG3' HD12 ' A' ' 39' ' ' ILE . 12.3 pt-20 -168.35 165.42 12.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.3 mt-10 -124.5 116.39 22.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.683 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.4 mp -96.29 124.25 40.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 57' ' ' GLY . 41.3 mt-10 -110.7 151.79 27.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.77 58.33 1.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.683 HG11 ' HB3' ' A' ' 55' ' ' LEU . 14.2 m -112.6 179.67 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.16 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 p -124.37 157.9 63.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.687 0.756 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.479 ' HB3' ' CD1' ' A' ' 140' ' ' LEU . 53.5 Cg_endo -69.79 -13.19 34.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.321 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.97 -28.76 14.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -91.37 -33.06 15.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.469 HD21 HG21 ' A' ' 75' ' ' ILE . 19.6 tp -57.07 -50.57 72.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -49.9 -26.96 4.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -71.08 -31.12 67.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.921 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -86.96 12.78 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 75' ' ' ILE . 33.0 mt -117.38 150.3 46.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.598 0.714 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 137.53 35.71 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -106.06 11.75 31.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -123.27 -24.24 4.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -133.22 149.37 72.41 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.659 0.743 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.7 137.12 34.89 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 17.1 tpp180 -137.63 156.66 47.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.723 ' C ' HD12 ' A' ' 75' ' ' ILE . 23.8 m-85 -98.12 135.3 39.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.723 HD12 ' C ' ' A' ' 74' ' ' PHE . 3.3 mp -148.46 138.91 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 61.1 t -122.35 99.67 7.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -103.2 153.84 19.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.404 ' CB ' HD22 ' A' ' 92' ' ' LEU . 45.2 t -125.75 94.93 4.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.5 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 62.1 t80 -64.54 169.81 4.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 60.8 tttt -115.18 104.2 11.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.5 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.7 t80 -89.53 97.39 11.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 4.2 tp60 -90.5 133.62 34.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -100.47 150.07 23.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -48.71 -59.72 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -42.98 -43.43 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.496 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 146.08 -31.49 1.58 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.451 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -57.8 137.78 56.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.5 HG23 ' C ' ' A' ' 81' ' ' TYR . 5.2 p -144.96 133.97 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.17 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p -131.69 153.25 50.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -110.84 89.47 9.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 110.958 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.0 Cg_endo -69.75 123.17 9.84 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.701 2.268 . . . . 0.0 112.355 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.939 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.5 mm? -77.32 125.38 29.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 42.8 m -130.97 148.75 52.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.819 ' HB2' HD13 ' A' ' 123' ' ' LEU . 16.5 t80 -94.75 113.87 25.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.467 HD13 ' CD1' ' A' ' 135' ' ' LEU . 66.2 mt -98.88 101.16 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.12 91.32 6.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.2 t -72.34 106.38 4.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 m -127.33 101.23 25.18 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.69 0.757 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.18 22.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.242 . . . . 0.0 112.355 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 130' ' ' ARG . 35.3 m -51.84 -33.87 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.62 28.08 2.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.518 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 6.6 p -99.9 156.86 16.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 157.42 40.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.539 0.685 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.401 ' O ' ' HG3' ' A' ' 108' ' ' MET . 53.5 Cg_endo -69.78 -49.98 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.379 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.65 -28.32 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -93.78 -45.92 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 6.0 mm100 -45.94 -42.49 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 1.3 mtm -63.51 -38.79 92.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 61.5 ttp -62.46 -57.21 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.481 ' CD1' ' HG2' ' A' ' 72' ' ' PRO . 80.9 m-85 -68.0 -34.86 77.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -56.04 -67.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.106 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -57.5 -49.02 76.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.588 ' HA ' HG13 ' A' ' 13' ' ' VAL . 26.1 m -56.15 -43.42 78.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.961 0.41 . . . . 0.0 110.867 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.4 ttpt -45.84 -56.83 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.5 t-20 -35.17 -61.88 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -47.99 -49.15 31.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.46 HD11 ' CE2' ' A' ' 74' ' ' PHE . 7.1 mt -51.42 -56.68 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 58.4 t -49.84 -21.75 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -91.62 -35.51 14.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.614 HG21 HG21 ' A' ' 16' ' ' VAL . 91.8 m -67.33 -46.58 73.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -80.94 -2.26 46.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 55.12 50.99 14.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.819 HD13 ' HB2' ' A' ' 94' ' ' PHE . 8.2 mt -97.91 127.01 43.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 23.0 p -87.68 -45.66 10.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.2 mppt? -86.13 120.47 27.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 73.1 t -123.12 113.02 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 125' ' ' LYS . 4.3 m-85 -115.21 139.97 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -121.26 140.57 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 135' ' ' LEU . 26.9 pt -120.63 128.5 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.673 ' O ' HG13 ' A' ' 100' ' ' VAL . 1.4 ppt_? -80.09 9.85 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -171.75 121.69 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 20.7 p -43.76 -36.46 2.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.57 -40.88 69.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.456 ' OD2' ' CD1' ' A' ' 139' ' ' TRP . 2.2 t70 -53.75 -35.88 61.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 95' ' ' ILE . 66.9 tp -60.76 91.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 64.6 p -140.55 167.56 21.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -52.55 -59.65 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -50.44 -43.13 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.456 ' CD1' ' OD2' ' A' ' 134' ' ' ASP . 65.5 t90 -58.47 -47.25 84.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 60' ' ' PRO . 11.6 mt -50.78 -59.06 4.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -54.66 -29.13 51.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -64.63 -47.15 79.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -65.27 -44.35 88.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 53.4 mt -68.08 -36.85 80.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.86 -41.49 96.15 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.1 p -170.13 124.52 0.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -118.48 -137.98 5.79 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.28 20.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.323 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 54.4 m -80.6 95.79 6.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 97.6 p -80.68 142.03 34.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.8 t -128.17 42.57 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.874 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 m -155.42 152.94 29.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.49 159.51 28.96 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -165.8 142.56 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 110.891 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -87.2 149.32 24.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.65 158.83 25.2 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 10' ' ' SER . 4.1 t -112.46 172.82 6.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.864 0.364 . . . . 0.0 110.827 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 8' ' ' SER . 14.1 pt-20 33.68 34.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 8' ' ' SER . 29.3 t -111.08 90.26 3.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.892 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.93 172.8 7.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -118.76 102.84 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.5 t -96.21 148.44 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.7 m -126.0 -175.67 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.18 162.26 14.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.429 ' HB ' HG22 ' A' ' 21' ' ' VAL . 23.1 m -99.48 122.96 51.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.853 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -69.02 122.3 18.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -44.64 -47.7 10.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.44 -46.64 6.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.816 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD21 ' HG2' ' A' ' 40' ' ' MET . 1.9 tp -79.57 -51.62 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.594 HG13 ' CG2' ' A' ' 120' ' ' THR . 40.1 t -41.45 -48.37 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.5 pt-20 -46.73 -41.34 14.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 38.0 mttt -60.64 -52.59 64.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' ' 121' ' ' ALA . 65.7 mt -54.79 -46.92 74.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -55.11 -35.39 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 30' ' ' ARG . 52.9 mmtt -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.956 ' CG ' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -39.2 -55.07 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -59.82 -46.83 88.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -97.19 32.48 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' LYS . 4.2 ptm85 -67.94 125.69 27.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -83.59 40.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -125.45 179.04 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.7 t -122.68 -24.94 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -75.04 173.81 10.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -84.07 178.29 7.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' ' CZ ' ' A' ' 27' ' ' PHE . . . -165.84 168.92 15.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -152.34 127.32 9.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 30.6 mt -115.06 116.76 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.685 HD12 ' CG ' ' A' ' 53' ' ' GLU . 23.1 mt -98.91 142.83 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.456 ' HG2' HD21 ' A' ' 20' ' ' LEU . 15.3 mtm -132.92 157.09 45.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.48 156.09 33.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.8 mt -100.32 131.0 48.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -69.35 -179.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 21.5 pttm -94.57 -42.96 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 9.8 t70 -98.83 -54.18 3.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -49.89 -37.39 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 52.9 50.1 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.853 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.3 tp -146.84 144.33 29.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 117' ' ' LEU . 23.4 t -74.22 112.44 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.4 ' C ' HD22 ' A' ' 20' ' ' LEU . 18.8 m -119.47 167.63 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.692 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.7 tm? -79.58 127.47 32.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' HD13 ' A' ' 51' ' ' LEU . 5.8 t0 -93.06 -44.95 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.685 ' CG ' HD12 ' A' ' 39' ' ' ILE . 7.7 pt-20 -168.27 173.0 8.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.438 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 7.8 mt-10 -140.12 117.06 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.742 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.9 mp -99.36 135.21 41.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 58' ' ' VAL . 35.6 mt-10 -115.27 152.66 32.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 39.05 59.34 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.742 HG11 ' HB3' ' A' ' 55' ' ' LEU . 23.2 m -116.26 176.97 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 m -123.1 159.01 56.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -13.91 35.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.682 2.254 . . . . 0.0 112.308 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.06 -26.48 16.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -96.97 -31.08 12.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 tp -59.19 -47.7 84.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -51.66 -25.82 7.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.81 -36.41 80.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.541 ' HG3' HD21 ' A' ' 55' ' ' LEU . 10.3 mm-40 -81.58 15.08 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.6 mt -119.51 150.38 49.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 137.54 35.8 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -106.15 15.4 26.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -129.02 -30.74 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -121.54 146.0 44.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.582 0.706 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.91 16.72 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -133.78 157.46 45.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.798 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.3 m-85 -98.24 136.98 37.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.5 mp -148.8 135.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.1 t -123.11 100.08 7.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -97.67 138.4 35.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.609 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 13.7 t -103.88 94.96 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.852 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.524 ' HB2' HD21 ' A' ' 140' ' ' LEU . 89.7 t80 -75.35 169.26 18.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.673 ' CE ' HG21 ' A' ' 88' ' ' VAL . 50.9 tttt -112.76 106.0 14.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.448 ' HD2' HD13 ' A' ' 144' ' ' LEU . 2.5 t80 -98.22 100.85 12.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 21.3 tp60 -81.25 138.31 35.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -100.53 127.03 47.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -39.69 -45.01 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -45.53 -44.1 12.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.488 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 149.45 -39.44 0.91 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -70.87 150.45 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.673 HG21 ' CE ' ' A' ' 80' ' ' LYS . 2.5 p -140.61 124.68 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.8 p -117.23 158.29 24.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.407 ' CD1' ' N ' ' A' ' 90' ' ' TYR . 1.4 m-85 -106.14 88.74 3.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 113.25 3.3 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.26 . . . . 0.0 112.379 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.956 HD21 ' CG ' ' A' ' 27' ' ' PHE . 6.8 mp -79.86 125.21 29.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 8.1 m -124.25 152.59 42.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.889 ' HB2' HD13 ' A' ' 123' ' ' LEU . 13.3 t80 -93.66 115.05 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.5 mt -103.01 101.19 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.149 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.75 93.73 6.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.43 ' HA ' ' CG1' ' A' ' 129' ' ' ILE . 4.4 t -74.35 103.36 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 99' ' ' PRO . 82.8 p -124.94 101.26 32.66 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.89 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 98' ' ' SER . 53.8 Cg_endo -69.72 125.61 12.37 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.715 2.277 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 130' ' ' ARG . 4.1 t -47.82 -26.41 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.31 20.92 5.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.4 p -100.39 160.42 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.468 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -91.63 157.04 42.48 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -49.04 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.6 tp10 -42.64 -25.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -92.94 -49.05 6.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.578 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 2.2 mm100 -46.17 -28.43 1.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 7.2 mtm -74.71 -47.36 31.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.5 ttp -60.14 -36.7 78.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -85.39 -45.0 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -46.3 -70.23 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -52.31 -56.95 14.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.448 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.9 m -48.14 -38.46 17.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.958 0.408 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.9 ttpt -54.26 -55.57 26.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.02 -63.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.406 ' HE3' HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -45.99 -51.97 12.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.549 HD21 HG21 ' A' ' 49' ' ' VAL . 5.6 mt -47.72 -54.54 11.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.4 t -49.68 -21.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -95.75 -34.6 11.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 21' ' ' VAL . 88.1 m -69.75 -41.83 74.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.832 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -84.12 -4.24 58.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.057 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 57.86 46.13 17.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.889 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.3 mt -95.1 126.24 40.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -88.29 -39.39 14.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 3.1 mppt? -94.74 123.14 38.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 48.4 t -128.71 114.51 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 3.7 m-85 -117.15 138.45 51.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -118.24 129.4 55.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.55 HD13 ' HB2' ' A' ' 135' ' ' LEU . 13.8 pt -105.91 134.92 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.633 ' O ' HG23 ' A' ' 100' ' ' VAL . 27.5 ptt180 -80.56 4.86 17.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.6 OUTLIER -172.54 129.45 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 29.5 p -47.57 -30.67 3.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.89 -44.04 97.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -52.51 -37.43 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.55 ' HB2' HD13 ' A' ' 129' ' ' ILE . 28.8 tp -59.63 90.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 69.7 p -137.4 171.3 14.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.44 -60.64 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -49.95 -48.49 52.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.463 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 60.7 t90 -58.08 -45.08 87.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.524 HD21 ' HB2' ' A' ' 79' ' ' TYR . 11.6 tp -51.25 -67.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -49.42 -32.23 11.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.46 -42.58 92.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -71.08 -34.93 71.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.448 HD13 ' HD2' ' A' ' 81' ' ' TYR . 87.0 mt -73.28 -36.33 66.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -84.36 43.9 3.27 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 46.3 m -144.49 115.74 7.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.952 0.406 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 125.09 140.27 5.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 173.55 10.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.9 m -83.02 127.72 33.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 31.5 p -89.15 119.91 30.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -137.81 167.68 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 0.0 110.886 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 p -66.02 -52.31 50.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.99 -69.17 0.46 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.52 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.8 t -111.79 80.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -88.61 109.15 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.98 44.66 3.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.6 m -103.5 171.57 7.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -100.76 91.47 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.5 t -155.41 146.8 22.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.8 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 62.3 mt -109.68 169.02 8.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.544 HG12 ' O ' ' A' ' 12' ' ' VAL . 6.9 t -127.18 97.72 4.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.5 p -99.02 146.92 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 87.9 m -130.15 151.7 50.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.633 ' HB2' HD11 ' A' ' 48' ' ' LEU . 8.2 m-20 -84.16 162.22 20.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.809 HG21 HG21 ' A' ' 120' ' ' THR . 7.6 m -95.3 116.57 37.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.667 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -53.26 139.01 30.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -55.25 -39.41 69.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.59 -29.02 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' CD1' ' HG2' ' A' ' 40' ' ' MET . 11.0 tp -86.44 -52.16 5.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 17' ' ' ALA . 17.6 t -44.41 -54.02 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -42.6 -42.1 3.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' CE ' ' HG ' ' A' ' 51' ' ' LEU . 24.4 mttp -68.47 -43.71 76.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.7 mt -60.48 -47.0 88.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -54.1 -49.25 69.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 30' ' ' ARG . 25.2 mmtt -63.06 -42.36 99.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.033 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -40.96 -54.36 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 122' ' ' GLU . 36.4 mmm-85 -63.21 -49.1 75.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -92.92 32.14 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.541 ' NH2' ' HB2' ' A' ' 36' ' ' ALA . 8.3 ptm180 -63.89 128.36 35.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.52 19.84 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.18 -179.39 3.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -124.1 -28.73 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.1 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -69.74 173.84 5.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -77.88 174.79 10.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.541 ' HB2' ' NH2' ' A' ' 30' ' ' ARG . . . -161.17 159.82 29.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.074 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -157.19 113.89 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 mt -102.94 121.04 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.953 HD12 ' HG3' ' A' ' 53' ' ' GLU . 55.4 mt -100.29 143.46 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.463 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 12.0 mtm -137.59 152.22 49.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.09 163.42 36.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.625 HD12 ' CD1' ' A' ' 110' ' ' TYR . 6.2 mt -117.45 140.72 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -103.63 -179.51 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -76.97 -66.48 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.79 -40.47 65.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.2 tp10 -57.77 -33.72 68.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 33.09 34.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 15' ' ' ASP . 1.6 tp -143.3 134.14 25.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.93 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG21 HD11 ' A' ' 117' ' ' LEU . 10.9 t -67.61 109.45 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.172 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.3 m -112.28 161.32 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.748 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.3 tm? -67.55 127.94 34.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.537 ' N ' HD13 ' A' ' 51' ' ' LEU . 12.2 t0 -93.54 -45.53 7.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.953 ' HG3' HD12 ' A' ' 39' ' ' ILE . 3.2 pt-20 -171.35 152.44 3.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -115.78 111.18 20.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.729 ' HB3' HG11 ' A' ' 58' ' ' VAL . 10.0 mp -96.63 129.69 43.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' O ' HG13 ' A' ' 58' ' ' VAL . 24.0 mt-10 -113.86 151.66 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 36.94 56.34 1.36 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.515 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.729 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.4 m -112.69 173.13 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.843 0.354 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -117.39 159.89 39.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.457 ' HB3' HD11 ' A' ' 140' ' ' LEU . 53.7 Cg_endo -69.75 -13.99 35.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.741 2.294 . . . . 0.0 112.324 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -29.15 15.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.48 -29.68 16.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.446 HD21 HG21 ' A' ' 75' ' ' ILE . 12.3 tp -62.58 -50.46 71.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -48.8 -27.17 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -66.04 -38.52 88.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.869 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -81.07 14.23 2.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.478 ' CD2' HG12 ' A' ' 75' ' ' ILE . 26.4 mt -116.26 144.69 33.47 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.431 ' CG ' ' HB2' ' A' ' 73' ' ' ARG . 54.1 Cg_endo -69.68 129.99 18.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.68 2.254 . . . . 0.0 112.361 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -98.36 1.99 47.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.6 mtp85 -113.56 -25.57 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -129.23 148.63 69.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.554 0.692 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.7 Cg_endo -69.76 134.38 27.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.712 2.275 . . . . 0.0 112.311 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' HB2' ' CG ' ' A' ' 68' ' ' PRO . 16.3 tpp180 -139.12 156.63 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.762 ' C ' HD12 ' A' ' 75' ' ' ILE . 19.8 m-85 -98.16 139.35 34.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.762 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.0 mp -148.36 132.62 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.447 ' O ' ' CE2' ' A' ' 27' ' ' PHE . 60.2 t -116.44 99.9 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -104.69 156.1 18.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.459 ' OG ' HD22 ' A' ' 92' ' ' LEU . 27.3 t -126.13 95.07 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 55.7 t80 -63.58 167.34 5.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.45 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 63.8 tttt -112.74 94.29 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.467 ' C ' HG23 ' A' ' 88' ' ' VAL . 2.0 t80 -84.81 100.59 11.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 23.3 tp60 -91.09 142.05 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -109.61 141.91 41.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ASP . 8.1 t0 -43.34 -58.59 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' ASP . 2.4 m-20 -37.61 -41.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.815 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.463 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 140.32 -31.22 2.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 89' ' ' SER . 1.7 tmm_? -67.39 134.85 52.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.467 HG23 ' C ' ' A' ' 81' ' ' TYR . 3.3 p -136.72 129.46 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.418 ' HB2' ' NH1' ' A' ' 87' ' ' ARG . 9.2 t -122.18 162.99 20.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.474 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -118.96 92.05 44.33 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.658 0.742 . . . . 0.0 110.9 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.4 Cg_endo -69.77 123.49 10.15 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.628 2.218 . . . . 0.0 112.312 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.033 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.1 mm? -77.57 124.04 27.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.414 ' SG ' HD21 ' A' ' 144' ' ' LEU . 14.2 m -127.43 159.57 34.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.795 ' HB2' HD13 ' A' ' 123' ' ' LEU . 4.5 t80 -107.03 111.17 23.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 60.7 mt -97.8 102.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -84.37 90.99 7.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 51.1 p -70.17 107.85 3.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 130' ' ' ARG . 3.3 t -127.69 101.58 23.65 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 54.0 Cg_endo -69.75 119.26 6.24 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.5 m -42.69 -32.45 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.18 27.72 2.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 3.5 p -101.66 160.61 14.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.851 0.358 . . . . 0.0 110.905 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.465 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.4 ptmt -89.95 154.7 47.61 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.596 0.712 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.663 2.242 . . . . 0.0 112.407 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -42.77 -30.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 109' ' ' MET . 11.7 mm100 -90.06 -49.62 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.523 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -40.35 -35.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 1.5 mtm -78.66 -35.09 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.685 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 50.6 ttp -62.21 -35.7 79.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.685 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 76.1 m-85 -94.86 -40.02 9.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . -60.21 -61.43 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.8 -7.6 12.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -110.83 -20.73 12.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.931 0.396 . . . . 0.0 110.871 -179.766 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.549 ' HA ' HD22 ' A' ' 117' ' ' LEU . 11.5 ttpt -63.59 -54.72 31.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.48 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.2 t-20 -31.91 -56.05 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' ' 16' ' ' VAL . 4.9 tttt -46.91 -54.57 9.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -46.13 -56.33 5.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 55.8 t -45.15 -27.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -90.55 -36.22 14.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.809 HG21 HG21 ' A' ' 16' ' ' VAL . 79.0 m -63.0 -47.43 83.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.11 -2.05 50.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.411 ' O ' ' NH1' ' A' ' 28' ' ' ARG . 15.2 mt-10 59.1 47.47 11.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.795 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.2 mt -95.96 137.51 34.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.5 p -101.65 -25.33 13.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.1 mppt? -105.23 120.76 42.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.0 t -126.64 113.4 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.535 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 6.8 m-85 -118.62 141.86 48.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -122.62 127.38 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.527 ' CG2' ' CZ2' ' A' ' 139' ' ' TRP . 10.8 pt -103.69 129.42 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.431 ' HD2' ' CG ' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -59.52 -30.88 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.431 ' CG ' ' HD2' ' A' ' 130' ' ' ARG . 6.2 m-20 -145.9 137.57 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 69.4 p -48.31 -31.27 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.26 -40.98 75.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.33 -37.55 70.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 129' ' ' ILE . 18.8 tp -55.57 96.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 71.8 p -143.83 175.24 10.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.119 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.57 -61.54 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -50.83 -38.82 51.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.527 ' CZ2' ' CG2' ' A' ' 129' ' ' ILE . 75.0 t90 -62.87 -44.92 94.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 60' ' ' PRO . 12.1 mt -53.01 -60.48 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -55.21 -21.36 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -72.82 -42.3 63.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.535 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -71.17 -37.57 72.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.414 HD21 ' SG ' ' A' ' 93' ' ' CYS . 42.9 mt -72.81 -34.64 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.947 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.1 -83.27 0.11 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 11.3 t -100.04 88.97 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' HA3' ' HD2' ' A' ' 148' ' ' PRO . . . -94.07 -147.19 21.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.515 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.412 ' HD2' ' HA3' ' A' ' 147' ' ' GLY . 53.8 Cg_endo -69.81 152.94 69.18 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 37.7 m -160.25 170.72 20.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 48.2 t -78.07 118.82 20.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.482 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 t -96.13 130.4 43.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -82.42 157.08 23.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.94 100.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.9 m -59.48 103.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -99.11 145.46 27.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.32 48.42 3.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -111.15 93.4 4.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.827 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.96 35.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -119.65 90.32 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.562 HD23 ' HB3' ' A' ' 108' ' ' MET . 20.6 mt -101.49 152.95 20.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.2 t -115.78 106.95 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 83.8 t -92.54 136.73 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.7 m -108.31 175.0 5.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -108.66 148.27 30.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.523 HG12 HD22 ' A' ' 117' ' ' LEU . 29.4 m -80.75 126.12 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.59 136.0 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -52.34 -47.58 65.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.08 -30.53 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.882 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.4 OUTLIER -81.19 -54.72 5.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 17' ' ' ALA . 24.5 t -41.74 -50.08 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.6 pt-20 -45.35 -43.53 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD3' ' CD ' ' A' ' 54' ' ' GLU . 42.0 mttt -64.45 -49.56 70.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.496 HD13 ' HB2' ' A' ' 121' ' ' ALA . 82.1 mt -56.96 -44.71 82.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -52.99 -48.13 67.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 30' ' ' ARG . 23.8 mmtt -62.71 -40.84 98.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.878 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.78 -52.66 8.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -66.66 -47.35 72.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -94.08 33.78 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 26' ' ' LYS . 8.9 ptm180 -69.09 121.72 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.79 42.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.5 mm-40 -124.91 177.22 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 63.0 m -113.56 -42.74 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.114 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 8.0 p-80 -55.41 179.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -89.33 -178.91 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -164.89 159.71 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.062 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -155.05 123.25 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.521 HD12 ' HD2' ' A' ' 27' ' ' PHE . 30.7 mt -113.43 125.11 70.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.844 HD12 ' HG3' ' A' ' 53' ' ' GLU . 7.8 mt -108.53 141.88 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.114 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.882 ' HG2' HD11 ' A' ' 20' ' ' LEU . 11.2 mtm -129.49 165.56 21.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.22 160.26 32.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.8 mt -112.94 149.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.12 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 4.9 t70 -121.35 163.48 18.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -55.88 148.21 17.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 39.5 25.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' LYS . 4.0 tp10 -96.03 -34.51 11.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 33.99 34.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.569 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.2 tp -151.51 129.92 12.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.555 HG21 HD21 ' A' ' 117' ' ' LEU . 61.3 t -80.92 111.92 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.5 m -104.81 152.25 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.692 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.5 tm? -61.61 126.56 27.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.5 t0 -87.26 -48.79 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.844 ' HG3' HD12 ' A' ' 39' ' ' ILE . 6.1 pt-20 -171.38 159.52 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.444 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 5.6 mt-10 -120.51 119.66 33.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.664 ' HB3' HG11 ' A' ' 58' ' ' VAL . 13.5 mt -107.15 138.18 43.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 57' ' ' GLY . 5.3 mp0 -120.46 155.55 33.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 56' ' ' GLU . . . 35.87 60.12 0.85 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.664 HG11 ' HB3' ' A' ' 55' ' ' LEU . 15.0 m -114.77 -179.91 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.84 0.352 . . . . 0.0 111.107 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -126.85 159.76 62.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.656 0.741 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -15.4 37.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.294 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.86 -23.1 17.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.84 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -96.13 -31.89 12.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.704 HD21 HG21 ' A' ' 75' ' ' ILE . 16.6 tp -57.95 -55.63 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.733 ' HB3' HD23 ' A' ' 135' ' ' LEU . 5.2 pttp -46.48 -28.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.58 -36.04 81.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.494 ' O ' HD23 ' A' ' 67' ' ' LEU . 7.0 mm-40 -85.25 18.86 2.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.494 HD23 ' O ' ' A' ' 66' ' ' GLU . 17.2 mt -124.35 150.82 65.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.607 0.718 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 144.53 54.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.612 2.208 . . . . 0.0 112.342 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -112.29 9.51 19.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.2 mtt-85 -119.39 -28.64 5.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -126.49 150.63 71.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.8 Cg_endo -69.82 135.66 30.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -137.1 156.64 48.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.778 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.2 m-85 -98.7 137.95 36.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.778 HD12 ' C ' ' A' ' 74' ' ' PHE . 2.9 mp -148.64 140.88 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 82.0 t -126.95 99.81 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -103.2 157.84 16.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.4 t -129.27 94.93 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.561 ' HB2' HD21 ' A' ' 140' ' ' LEU . 46.8 t80 -64.89 170.63 4.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.96 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.5 tttt -116.79 95.63 5.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.411 ' C ' HG23 ' A' ' 88' ' ' VAL . 1.7 t80 -84.51 99.68 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 86' ' ' GLY . 17.3 tp60 -94.39 134.23 37.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -97.77 149.9 21.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -47.97 -59.54 3.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -44.36 -45.78 9.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.444 ' O ' ' NE2' ' A' ' 82' ' ' GLN . . . 151.93 -39.58 0.77 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -49.09 131.61 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 81' ' ' TYR . 4.2 p -144.18 125.78 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.7 p -127.09 158.47 36.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.526 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -111.45 92.51 16.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.685 0.755 . . . . 0.0 110.925 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 54.1 Cg_endo -69.71 120.86 7.59 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.38 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.878 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.0 mm? -77.58 124.3 27.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.4 m -129.92 152.55 49.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.882 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.3 t80 -98.98 111.21 23.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.4 HD13 ' CD1' ' A' ' 135' ' ' LEU . 70.4 mt -97.83 100.99 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -81.8 96.07 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.9 t -74.84 103.03 4.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.1 p -122.66 101.49 39.82 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.684 0.754 . . . . 0.0 110.806 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 130' ' ' ARG . 53.8 Cg_endo -69.81 129.23 17.18 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.641 2.227 . . . . 0.0 112.361 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.7 t -48.08 -32.01 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.28 24.92 2.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.521 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 18.3 p -96.45 156.51 16.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.413 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -93.64 158.09 37.25 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.667 2.244 . . . . 0.0 112.372 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -42.58 -29.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.413 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 9.7 mm100 -91.5 -47.81 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.531 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 3.9 mm100 -44.33 -35.4 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.562 ' HB3' HD23 ' A' ' 11' ' ' LEU . 5.1 mtm -71.36 -41.61 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 42.6 ttp -61.74 -46.55 89.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 85.7 m-85 -77.68 -43.8 30.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.908 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -47.86 -70.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.75 -57.53 12.23 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.2 m -48.04 -40.34 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.474 ' HG3' ' CZ ' ' A' ' 94' ' ' PHE . 14.5 ttpt -51.17 -57.57 8.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -34.68 -61.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -48.85 -48.48 41.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.555 HD21 HG21 ' A' ' 49' ' ' VAL . 7.0 mt -51.96 -52.29 51.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 75.9 t -51.07 -21.94 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -91.36 -36.19 13.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.527 ' CG2' HG13 ' A' ' 21' ' ' VAL . 26.3 m -68.69 -45.68 70.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.496 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -80.3 -3.4 49.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 56.42 53.62 8.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.882 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.6 mt -101.71 126.71 48.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 41.4 p -88.13 -44.54 10.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.26 127.36 36.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.61 118.13 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 143' ' ' LYS . 9.1 m-85 -122.25 143.95 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.65 130.02 52.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.0 pt -106.9 131.85 55.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.435 ' O ' ' HA ' ' A' ' 99' ' ' PRO . 26.0 ptt-85 -67.46 -23.75 65.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.515 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.3 OUTLIER -144.89 130.26 18.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 35.7 p -45.25 -33.9 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -58.47 -41.16 84.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -47.0 -44.7 20.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.733 HD23 ' HB3' ' A' ' 64' ' ' LYS . 28.5 tp -53.59 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 68.5 p -142.13 154.1 44.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -40.48 -47.98 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -62.14 -57.92 9.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.459 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 22.5 t90 -49.11 -42.78 40.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 79' ' ' TYR . 14.2 tp -54.64 -62.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -54.99 -26.43 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -63.9 -47.4 80.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.565 ' HB3' ' CE1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.76 -43.52 98.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.08 -36.49 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.79 -79.75 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.1 p -82.02 40.48 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -72.6 -131.41 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 151.26 68.82 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 71.0 m -48.12 103.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.9 m -83.87 100.27 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.815 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -136.99 156.51 48.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.932 0.396 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -123.28 146.12 48.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.43 -41.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 m -78.54 97.35 5.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -162.58 111.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.7 57.79 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.3 m -159.48 142.01 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.16 92.15 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -127.55 78.79 1.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.2 mt -68.7 143.85 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -121.41 96.9 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 14' ' ' CYS . 1.1 p -97.49 151.47 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.401 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 46.7 m -137.5 -177.81 4.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.454 ' HB2' HD21 ' A' ' 48' ' ' LEU . 5.3 m-20 -114.55 172.21 7.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG21 HG21 ' A' ' 120' ' ' THR . 27.6 m -101.59 129.04 53.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.663 ' HB2' HD12 ' A' ' 48' ' ' LEU . . . -67.36 137.63 56.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -52.39 -43.08 64.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.19 -23.8 62.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.663 HD11 ' HG2' ' A' ' 40' ' ' MET . 1.5 tt -87.26 -55.28 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.416 HG13 ' CG2' ' A' ' 120' ' ' THR . 15.6 t -44.0 -52.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 23' ' ' LYS . 7.9 pt-20 -40.5 -46.29 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 22' ' ' GLU . 52.0 mttt -61.5 -56.21 22.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 121' ' ' ALA . 66.3 mt -49.69 -42.87 46.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -56.01 -45.83 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 30' ' ' ARG . 16.1 mmtt -67.38 -38.34 84.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.989 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -46.13 -53.78 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -63.38 -46.96 84.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -92.72 28.51 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' LYS . 9.0 ptm180 -64.66 125.79 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' CD ' ' O ' ' A' ' 31' ' ' LYS . 0.8 OUTLIER -85.38 -5.01 59.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.41 167.95 19.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.9 m -110.02 -38.88 5.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -64.82 173.43 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.44 ' ND2' ' OH ' ' A' ' 77' ' ' TYR . 3.8 m120 -78.29 179.44 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -163.33 160.95 24.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -153.04 114.28 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.522 HD11 ' OE2' ' A' ' 54' ' ' GLU . 5.4 mt -103.81 120.29 53.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.846 HD12 ' CG ' ' A' ' 53' ' ' GLU . 20.2 mt -99.83 143.09 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.663 ' HG2' HD11 ' A' ' 20' ' ' LEU . 13.6 mtm -137.02 144.26 43.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.809 ' HE3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -130.45 170.43 14.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.58 HG12 HG22 ' A' ' 49' ' ' VAL . 42.8 mt -127.19 132.41 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -107.19 165.45 11.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 47' ' ' ARG . 0.1 OUTLIER -89.1 -48.3 7.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.432 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 6.1 m-20 -64.5 -34.94 79.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 47' ' ' ARG . 44.4 mt-10 -95.47 -17.16 21.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 30.93 41.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -147.2 134.5 20.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.58 HG22 HG12 ' A' ' 42' ' ' ILE . 17.7 t -68.36 122.11 18.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.138 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.809 HG23 ' HE3' ' A' ' 41' ' ' LYS . 27.2 m -129.47 154.29 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.685 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.6 tm? -57.82 136.08 56.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.578 ' N ' HD13 ' A' ' 51' ' ' LEU . 10.2 t0 -103.97 -47.1 4.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.846 ' CG ' HD12 ' A' ' 39' ' ' ILE . 5.3 pt-20 -171.97 152.88 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' OE2' HD11 ' A' ' 38' ' ' ILE . 8.1 mt-10 -117.66 120.37 37.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.825 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.7 mt -103.26 129.11 50.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -114.32 147.93 38.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 45.66 54.03 8.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.825 HG11 ' HB3' ' A' ' 55' ' ' LEU . 13.1 m -111.81 174.22 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.806 0.336 . . . . 0.0 111.164 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -119.44 158.34 49.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.899 ' HB3' HD23 ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.72 -13.54 34.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.84 -25.67 17.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -93.96 -29.08 15.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD11 HG21 ' A' ' 75' ' ' ILE . 47.1 tp -54.13 -54.5 38.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -50.25 -28.74 8.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -67.41 -31.15 71.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.21 -1.16 57.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.455 ' CD1' HG12 ' A' ' 75' ' ' ILE . 32.1 mt -103.0 149.64 37.05 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.63 0.729 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 132.87 24.3 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.728 2.285 . . . . 0.0 112.329 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -101.66 19.51 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -129.39 -30.83 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -127.25 149.9 70.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.592 0.71 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.2 Cg_endo -69.77 134.54 28.21 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.313 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 41' ' ' LYS . 13.2 tpp180 -137.82 157.11 47.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.787 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.8 m-85 -98.72 138.67 35.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.807 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -149.03 134.17 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.129 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.52 100.51 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.44 ' OH ' ' ND2' ' A' ' 35' ' ' ASN . 64.0 t80 -101.9 158.99 15.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.3 t -134.1 95.07 3.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.848 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 86.8 t80 -72.44 165.31 24.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.561 ' HE2' HG21 ' A' ' 88' ' ' VAL . 58.4 tttt -109.27 106.09 15.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -95.61 98.62 10.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 83' ' ' HIS . 21.3 tp60 -82.66 142.9 31.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' N ' ' HG3' ' A' ' 82' ' ' GLN . 91.3 m-70 -108.79 139.42 43.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.7 -55.5 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -41.0 -39.4 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.01 -28.01 2.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -69.47 144.25 53.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.561 HG21 ' HE2' ' A' ' 80' ' ' LYS . 3.3 p -143.99 129.62 15.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.09 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.5 p -126.54 153.13 45.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.601 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -104.99 92.33 5.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.721 0.772 . . . . 0.0 110.928 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 121.3 8.01 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.736 2.29 . . . . 0.0 112.357 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.989 HD11 ' CD1' ' A' ' 27' ' ' PHE . 1.2 mm? -77.7 126.18 30.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 84.4 m -128.84 153.67 47.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.737 ' HB2' HD13 ' A' ' 123' ' ' LEU . 8.7 t80 -104.18 107.94 19.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 54.0 mt -96.83 103.41 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -83.74 91.44 7.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 18.9 t -69.51 108.23 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.4 p -127.48 100.97 25.01 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.673 0.749 . . . . 0.0 110.846 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 102' ' ' CYS . 53.9 Cg_endo -69.71 132.46 23.46 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 130' ' ' ARG . 5.0 t -50.96 -30.23 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.59 22.72 4.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 99' ' ' PRO . 31.2 p -92.11 159.09 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.877 0.37 . . . . 0.0 110.91 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HD3' ' CG ' ' A' ' 106' ' ' GLN . 9.5 ptmt -95.73 154.92 39.01 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.59 0.709 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -44.19 2.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.303 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -48.16 -28.27 2.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' CG ' ' HD3' ' A' ' 103' ' ' LYS . 24.4 mm-40 -93.83 -43.96 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.442 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -44.37 -34.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.34 -34.2 61.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.627 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 58.4 ttp -68.5 -37.2 79.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.627 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 83.2 m-85 -88.11 -31.93 18.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -64.07 -67.92 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.94 -30.08 59.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.6 m -77.06 -40.85 44.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.955 0.407 . . . . 0.0 110.849 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 10.8 ttpt -49.52 -56.71 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -33.88 -65.63 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 tttt -44.33 -48.66 9.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.83 -55.0 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 74.6 t -49.83 -19.78 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -95.9 -34.63 11.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.461 HG21 HG21 ' A' ' 16' ' ' VAL . 97.6 m -66.46 -42.9 86.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -87.25 -4.61 59.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 57.86 50.67 10.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 94' ' ' PHE . 11.0 mt -95.99 137.28 35.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.1 p -93.83 -50.44 5.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.0 mppt? -84.4 130.25 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.12 108.47 7.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' A' ' 143' ' ' LYS . 2.6 m-85 -110.55 145.08 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -127.87 131.6 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 135' ' ' LEU . 8.3 pt -111.32 135.38 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 100' ' ' VAL . 7.1 ppt_? -82.61 4.47 24.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.589 ' ND2' ' CZ ' ' A' ' 130' ' ' ARG . 0.6 OUTLIER -165.6 119.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.4 p -41.08 -33.68 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.51 -44.74 81.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.562 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.5 t70 -47.53 -41.48 21.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.571 HD22 ' O ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -57.36 97.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 74.0 p -142.07 170.57 15.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -52.88 -62.78 1.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -49.82 -52.0 35.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.562 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 59.0 t90 -54.57 -38.49 66.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.899 HD23 ' HB3' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -51.5 -60.0 3.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 26.0 mtp85 -61.6 -28.48 69.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.67 -49.59 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.579 ' HB2' ' CE2' ' A' ' 127' ' ' PHE . 6.6 mmmt -64.06 -40.37 96.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 48.0 mt -66.78 -33.07 74.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -102.99 47.83 1.08 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.8 m -118.85 91.35 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.934 0.397 . . . . 0.0 110.862 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.93 142.28 8.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 117.7 5.24 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 83.6 p -163.52 156.6 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.3 m -88.4 88.86 7.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -122.25 91.95 3.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 t -82.67 -59.52 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.69 78.45 1.07 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.6 p -109.83 127.45 54.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.891 0.377 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -55.35 147.73 16.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.74 125.11 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 10' ' ' SER . 41.6 t -91.27 115.74 28.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.8 0.333 . . . . 0.0 110.874 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' C ' ' O ' ' A' ' 8' ' ' SER . 10.0 pt-20 32.98 35.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 8' ' ' SER . 19.6 m -89.24 114.34 25.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 36.8 mt -112.5 151.05 30.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.7 t -97.57 99.85 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.3 t -95.68 142.95 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.3 m -123.9 -176.24 3.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.547 ' HB2' HD11 ' A' ' 48' ' ' LEU . 4.8 m-20 -107.86 170.0 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.498 ' CG1' HD12 ' A' ' 117' ' ' LEU . 28.1 m -104.87 127.47 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 21' ' ' VAL . . . -66.11 132.82 49.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.061 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -50.62 -47.36 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -53.43 -31.92 47.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.812 HD11 ' HG2' ' A' ' 40' ' ' MET . 0.1 OUTLIER -78.86 -56.69 4.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.688 HG13 ' CG2' ' A' ' 120' ' ' THR . 4.0 t -45.13 -57.85 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 5.0 pt-20 -39.14 -36.74 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -72.31 -39.58 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 121' ' ' ALA . 69.9 mt -67.72 -46.11 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 -52.42 -44.3 65.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 30' ' ' ARG . 11.8 mmtp -62.18 -42.4 99.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.985 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -44.96 -44.68 10.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.923 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -69.66 -44.36 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -104.25 38.03 1.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 26' ' ' LYS . 10.0 ptm180 -67.09 145.25 55.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -97.75 23.57 7.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 7.0 mm-40 -111.57 175.66 5.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 t -125.26 -12.19 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 2.3 p-80 -84.33 168.88 15.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -69.04 175.22 3.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -166.58 167.38 15.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB3' HD12 ' A' ' 55' ' ' LEU . . . -160.32 123.53 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.735 HG23 ' CD2' ' A' ' 51' ' ' LEU . 11.4 mt -110.11 121.21 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.556 ' O ' HD22 ' A' ' 51' ' ' LEU . 43.7 mt -103.93 128.5 57.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.812 ' HG2' HD11 ' A' ' 20' ' ' LEU . 12.4 mtm -119.87 144.04 47.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.737 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -141.24 163.78 32.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.484 HD12 ' HE3' ' A' ' 109' ' ' MET . 3.4 mt -114.28 146.69 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -102.32 164.57 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -85.68 -24.82 26.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.2 -38.97 9.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' ARG . 83.0 mt-10 -87.43 -16.5 34.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 33.17 37.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.547 HD11 ' HB2' ' A' ' 15' ' ' ASP . 7.3 tp -135.91 145.52 46.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 117' ' ' LEU . 21.1 t -69.76 127.66 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.737 HG23 ' HD3' ' A' ' 41' ' ' LYS . 14.7 m -134.94 166.98 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.735 ' CD2' HG23 ' A' ' 38' ' ' ILE . 3.2 tm? -84.35 117.32 23.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.45 ' CG ' ' HE2' ' A' ' 41' ' ' LYS . 5.4 t0 -78.94 -41.99 28.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.632 ' OE2' HD21 ' A' ' 55' ' ' LEU . 9.8 pt-20 -172.89 159.51 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -122.07 126.49 48.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.754 ' HB3' HG11 ' A' ' 58' ' ' VAL . 9.0 mt -109.58 140.2 43.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' O ' HG13 ' A' ' 58' ' ' VAL . 50.8 mt-10 -121.24 154.23 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 40.25 50.63 3.66 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.754 HG11 ' HB3' ' A' ' 55' ' ' LEU . 12.2 m -110.88 172.86 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 111.159 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.09 161.18 41.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.632 0.729 . . . . 0.0 110.897 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -11.8 31.57 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.7 2.267 . . . . 0.0 112.359 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -94.61 -25.09 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.13 -27.04 14.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 55' ' ' LEU . 20.1 tp -64.47 -49.63 70.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -49.8 -33.27 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -64.76 -34.27 77.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -85.74 13.13 7.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.493 ' CD2' HG12 ' A' ' 75' ' ' ILE . 51.5 mt -114.73 148.71 40.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 123.37 10.01 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.1 pm0 -94.83 10.77 33.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 mtt85 -122.99 -32.25 3.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -121.79 147.35 48.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.722 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 53.6 Cg_endo -69.77 133.84 26.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.674 2.25 . . . . 0.0 112.342 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -141.43 157.26 45.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.797 ' C ' HD12 ' A' ' 75' ' ' ILE . 21.2 m-85 -98.21 138.75 35.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.798 ' N ' HD12 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -148.45 129.06 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.597 HG23 ' HE2' ' A' ' 40' ' ' MET . 53.8 t -113.98 99.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -92.77 144.06 25.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.603 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 35.9 t -113.03 94.95 5.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.576 ' CE2' ' O ' ' A' ' 80' ' ' LYS . 81.5 t80 -80.16 170.56 16.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.576 ' O ' ' CE2' ' A' ' 79' ' ' TYR . 44.9 tttt -115.61 115.93 27.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.48 ' C ' HG23 ' A' ' 88' ' ' VAL . 2.2 t80 -106.2 106.6 17.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.499 ' CD ' ' N ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -86.54 135.76 33.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.942 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.499 ' N ' ' CD ' ' A' ' 82' ' ' GLN . 85.0 m-70 -102.27 132.28 48.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -39.0 -53.16 1.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.61 -41.04 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.36 -33.45 1.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -70.55 148.59 48.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.576 HG21 ' HE2' ' A' ' 80' ' ' LYS . 2.7 p -142.19 129.46 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 25.9 p -121.25 154.87 35.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.487 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.8 OUTLIER -106.82 86.87 2.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.69 0.757 . . . . 0.0 110.927 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.35 5.03 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.674 2.249 . . . . 0.0 112.355 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.985 HD21 ' CD1' ' A' ' 27' ' ' PHE . 6.5 mp -81.62 124.67 29.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.411 ' SG ' HD21 ' A' ' 144' ' ' LEU . 63.7 m -116.59 167.94 10.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.761 ' HB2' HD13 ' A' ' 123' ' ' LEU . 6.2 t80 -111.29 104.21 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.1 mt -93.74 100.92 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -81.33 97.99 7.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.5 t -80.46 98.83 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 55.9 p -118.32 101.18 51.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.7 Cg_endo -69.77 114.9 3.86 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.726 2.284 . . . . 0.0 112.327 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.416 ' CG2' ' HB2' ' A' ' 130' ' ' ARG . 6.9 t -42.19 -25.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.15 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.7 15.89 9.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.419 ' N ' ' O ' ' A' ' 99' ' ' PRO . 29.5 p -96.61 161.75 13.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.448 ' CE ' ' HB3' ' A' ' 105' ' ' GLU . 2.1 pttt -87.88 155.96 52.66 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.59 1.54 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.448 ' HB3' ' CE ' ' A' ' 103' ' ' LYS . 6.9 tp10 -44.75 -28.98 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 109' ' ' MET . 6.6 mm100 -91.62 -47.71 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 3.1 mm100 -42.73 -33.44 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.3 mtm -72.21 -38.95 68.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.658 ' CE ' ' CE1' ' A' ' 110' ' ' TYR . 51.1 ttp -64.92 -44.09 90.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.658 ' CE1' ' CE ' ' A' ' 109' ' ' MET . 75.1 m-85 -80.57 -41.18 24.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.955 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -48.49 -70.21 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.153 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.96 -56.52 23.57 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.7 m -46.91 -40.5 14.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 115' ' ' ASN . 11.0 ttpt -49.69 -63.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.3 t-20 -34.21 -54.53 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -50.71 -53.57 30.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 49' ' ' VAL . 0.6 OUTLIER -47.67 -52.02 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 53.0 t -48.39 -23.24 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -94.5 -34.07 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.688 ' CG2' HG13 ' A' ' 21' ' ' VAL . 4.6 m -66.48 -40.65 89.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.626 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -90.44 -3.63 57.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.065 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 62.7 48.11 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.761 HD13 ' HB2' ' A' ' 94' ' ' PHE . 10.9 mt -93.83 147.61 22.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.8 p -113.85 -31.1 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -99.26 113.25 25.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.6 t -120.84 113.9 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 5.1 m-85 -121.19 142.81 49.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -122.26 138.09 54.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.573 HD13 ' HB2' ' A' ' 135' ' ' LEU . 15.5 pt -117.29 135.86 56.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.62 ' NE ' HD21 ' A' ' 131' ' ' ASN . 17.2 ptt180 -66.95 -30.2 70.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.62 HD21 ' NE ' ' A' ' 130' ' ' ARG . 1.0 OUTLIER -146.12 144.17 29.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 77.0 p -53.61 -32.15 50.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -60.95 -20.76 62.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -76.03 -35.19 59.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.573 ' HB2' HD13 ' A' ' 129' ' ' ILE . 13.4 tp -63.72 86.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 66.9 p -125.75 166.88 16.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -51.8 -55.75 18.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.57 -52.39 63.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.511 ' CZ2' ' HE3' ' A' ' 143' ' ' LYS . 32.7 t90 -54.16 -38.53 65.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.472 HD23 ' CD1' ' A' ' 79' ' ' TYR . 18.4 tp -58.26 -70.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -46.56 -29.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -63.43 -41.47 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -66.93 -39.25 87.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.411 HD21 ' SG ' ' A' ' 93' ' ' CYS . 65.1 mt -66.7 -36.4 82.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -116.41 54.79 0.57 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.447 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.2 t -101.48 40.55 1.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.401 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.58 142.47 13.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 4.14 2.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 14.8 m -41.68 127.2 3.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.7 p -99.29 103.46 15.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.441 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -170.1 146.57 3.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -67.41 176.65 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.85 141.87 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 m -161.32 147.89 14.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -110.74 97.26 6.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.04 65.99 1.87 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.0 t -87.17 91.35 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -169.75 110.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.5 t 65.09 44.09 3.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.88 157.54 34.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -98.67 104.46 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 44.3 t -96.75 123.88 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 100.0 m -96.08 173.4 7.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.467 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . 3.1 m-20 -103.11 162.16 13.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG12 HD22 ' A' ' 117' ' ' LEU . 34.3 m -97.2 126.03 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.764 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -69.38 127.09 31.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -46.21 -39.7 10.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -34.75 66.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 tp -81.88 -51.43 8.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.527 HG22 HG21 ' A' ' 120' ' ' THR . 39.1 t -45.34 -55.63 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 7.7 pt-20 -42.39 -42.14 3.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 25.4 mttp -68.46 -45.93 71.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.426 HD13 ' HB2' ' A' ' 121' ' ' ALA . 67.3 mt -59.93 -45.62 92.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' O ' ' CD2' ' A' ' 29' ' ' PHE . 37.2 mtm180 -54.59 -42.57 71.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' ARG . 29.4 mmtt -64.21 -37.38 87.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 1.025 ' CD1' HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -51.26 -42.58 61.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -74.39 -35.38 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD2' ' O ' ' A' ' 25' ' ' ARG . 3.0 m-85 -109.17 37.51 2.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -86.96 150.17 24.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' CD ' ' O ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -114.68 44.1 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . 5.0 mm-40 -116.5 126.4 53.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 57.6 m -65.57 -47.98 73.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.106 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 32' ' ' GLU . 9.1 p-80 -56.56 174.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -89.31 -177.61 5.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -166.49 165.91 16.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -150.61 128.72 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.498 HD12 ' HD2' ' A' ' 27' ' ' PHE . 12.9 mt -113.68 115.25 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' O ' ' CD2' ' A' ' 51' ' ' LEU . 22.3 mt -99.86 148.26 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.431 ' CE ' HG23 ' A' ' 76' ' ' VAL . 15.1 mtm -139.14 161.71 36.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' HE2' ' CG ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -157.3 169.6 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.527 HD12 ' HE3' ' A' ' 109' ' ' MET . 15.4 mt -118.36 136.3 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -80.66 -175.42 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -26.03 14.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -112.55 -37.82 4.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 48' ' ' LEU . 61.2 mm-40 -69.39 -19.24 63.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.5 ' NE ' ' O ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER 32.46 35.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.764 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.6 tp -133.89 142.55 47.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.6 t -76.44 118.29 22.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.477 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.7 m -124.68 157.79 32.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 52' ' ' ASP . 1.4 tm? -73.13 123.64 24.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.591 ' N ' HD22 ' A' ' 51' ' ' LEU . 11.7 t0 -83.71 -46.18 12.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.529 ' OE1' HD21 ' A' ' 55' ' ' LEU . 6.6 pt-20 -166.5 162.09 16.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -123.08 115.55 22.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' HB3' HG11 ' A' ' 58' ' ' VAL . 24.8 mt -96.1 145.77 25.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -130.04 153.1 48.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.12 52.96 6.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.583 HG11 ' HB3' ' A' ' 55' ' ' LEU . 11.2 m -113.65 175.17 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.859 0.361 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.6 m -124.23 161.64 46.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.661 0.743 . . . . 0.0 110.88 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HB3' HD22 ' A' ' 140' ' ' LEU . 53.9 Cg_endo -69.75 -17.68 37.47 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' HG22 ' A' ' 136' ' ' THR . 4.1 m-20 -95.23 -21.7 18.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -97.37 -34.35 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.471 HD13 HD12 ' A' ' 55' ' ' LEU . 11.4 tp -58.49 -50.83 72.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -47.2 -26.81 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -68.27 -38.8 82.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.821 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -81.52 15.43 2.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD2' HG12 ' A' ' 75' ' ' ILE . 55.0 mt -120.01 151.76 53.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.942 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.24 56.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.697 2.264 . . . . 0.0 112.36 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -114.29 9.08 16.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 16.8 mtm105 -125.47 -25.61 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -124.93 145.26 49.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.5 Cg_endo -69.73 135.1 29.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.737 2.291 . . . . 0.0 112.296 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -142.57 157.43 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.859 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.7 m-85 -97.93 139.06 34.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.859 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.6 mp -149.43 125.87 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.431 HG23 ' CE ' ' A' ' 40' ' ' MET . 51.1 t -113.06 99.64 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -95.48 150.75 19.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.607 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 43.4 t -117.34 94.99 4.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 80' ' ' LYS . 93.0 t80 -75.21 169.3 18.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 52.3 tttt -114.5 105.37 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -100.02 104.17 15.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.439 ' CD ' ' HB ' ' A' ' 88' ' ' VAL . 20.7 tp60 -84.27 140.54 31.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -101.84 131.53 48.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -43.07 -45.71 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 86' ' ' GLY . 0.5 OUTLIER -44.5 -45.7 9.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.45 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . 149.44 -34.12 1.08 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.472 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -75.86 149.05 37.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.472 HG21 ' CE ' ' A' ' 80' ' ' LYS . 2.0 p -138.78 128.36 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 25.6 m -120.15 156.62 30.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 1.3 m-30 -105.43 90.37 3.94 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.67 0.747 . . . . 0.0 110.916 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 89' ' ' SER . 53.5 Cg_endo -69.78 120.29 7.1 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.025 HD21 ' CD1' ' A' ' 27' ' ' PHE . 6.3 mp -88.8 128.28 35.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 24.0 m -124.09 166.26 16.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.507 ' CE1' ' HG3' ' A' ' 114' ' ' LYS . 11.1 t80 -107.4 107.51 18.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 mt -96.92 101.05 11.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -80.48 91.77 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.4 t -72.17 96.64 1.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.4 p -118.24 101.4 51.36 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 0.0 110.858 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 102' ' ' CYS . 53.6 Cg_endo -69.8 115.43 4.09 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.337 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' ' 100' ' ' VAL . 13.8 t -39.56 -27.48 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 99' ' ' PRO . . . -78.97 17.65 6.94 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.464 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . 0.461 ' N ' ' O ' ' A' ' 99' ' ' PRO . 26.5 p -95.71 161.92 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.891 0.377 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -92.1 156.18 42.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.586 0.707 . . . . 0.0 110.87 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -49.32 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.383 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -42.68 -26.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -92.63 -49.69 5.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 5.0 mm100 -42.9 -34.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 3.8 mtm -73.98 -39.11 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.652 ' CE ' ' CE2' ' A' ' 110' ' ' TYR . 29.7 ttp -62.61 -41.37 98.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.652 ' CE2' ' CE ' ' A' ' 109' ' ' MET . 65.0 m-85 -84.96 -44.2 13.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -42.68 -70.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -47.17 -57.8 6.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.517 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 p -48.86 -41.21 32.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.507 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 7.8 ttpp -50.29 -62.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.9 t-20 -34.57 -56.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.425 ' HE2' HG22 ' A' ' 16' ' ' VAL . 6.6 tttt -53.86 -50.21 66.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.637 HD22 HG12 ' A' ' 16' ' ' VAL . 5.5 mt -48.77 -49.42 38.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.405 HG21 HG21 ' A' ' 126' ' ' VAL . 47.7 t -54.71 -20.71 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -93.39 -33.34 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.527 HG21 HG22 ' A' ' 21' ' ' VAL . 27.6 m -70.96 -45.65 63.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.426 ' HB2' HD13 ' A' ' 24' ' ' LEU . . . -79.96 -3.39 48.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 58.1 43.46 20.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 94' ' ' PHE . 9.8 mt -93.9 135.75 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.5 p -98.65 -35.11 10.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 0.1 OUTLIER -93.12 121.65 34.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.419 HG11 ' NZ ' ' A' ' 114' ' ' LYS . 60.4 t -130.84 114.11 26.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.569 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 2.8 m-85 -120.97 152.82 38.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -129.25 140.56 51.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.531 HD13 ' HB2' ' A' ' 135' ' ' LEU . 18.0 pt -116.71 133.47 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.484 ' NE ' ' ND2' ' A' ' 131' ' ' ASN . 16.9 ptt180 -66.2 -29.72 70.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.484 ' ND2' ' NE ' ' A' ' 130' ' ' ARG . 4.0 m-80 -149.22 134.27 18.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 48.2 p -42.27 -30.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -56.77 -43.48 80.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.597 ' OD1' ' CD1' ' A' ' 139' ' ' TRP . 3.1 t70 -55.43 -39.13 69.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.531 ' HB2' HD13 ' A' ' 129' ' ' ILE . 54.2 tp -55.9 86.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 134' ' ' ASP . 80.3 p -132.32 170.6 14.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -54.55 -58.8 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -51.12 -46.21 61.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.597 ' CD1' ' OD1' ' A' ' 134' ' ' ASP . 36.8 t90 -61.63 -44.27 97.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 79' ' ' TYR . 12.0 tp -54.66 -65.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -48.42 -32.42 7.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -60.36 -49.0 79.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 0.0 OUTLIER -62.96 -38.35 90.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 35.7 mt -74.02 -29.8 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -104.1 48.44 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 22.4 m -107.38 42.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 116.48 141.31 7.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 149' ' ' SER . 53.4 Cg_endo -69.77 4.58 2.11 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 148' ' ' PRO . 1.2 t -36.36 121.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 75.7 m -79.3 108.93 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 t -162.89 158.68 22.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.853 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -161.33 153.16 19.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.23 71.16 0.46 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 m -58.4 -53.09 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.901 0.381 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -48.29 161.38 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.08 -92.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 t 42.01 43.03 2.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -135.08 119.49 17.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 66.0 m -100.48 127.75 46.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.3 mt -96.17 161.07 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.3 t -107.18 98.9 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.5 t -86.82 127.71 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 72.1 m -103.22 -178.29 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.453 ' HB2' HD11 ' A' ' 48' ' ' LEU . 1.4 m-20 -109.23 157.97 18.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.605 HG22 ' HE2' ' A' ' 116' ' ' LYS . 33.8 m -95.44 116.96 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.844 ' HB2' HD23 ' A' ' 48' ' ' LEU . . . -62.82 124.26 20.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -45.06 -45.78 11.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.46 -38.49 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.638 ' CD2' HG12 ' A' ' 49' ' ' VAL . 11.8 tp -79.64 -53.53 6.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.534 HG12 ' HE ' ' A' ' 25' ' ' ARG . 93.1 t -39.41 -60.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' VAL . 5.9 pt-20 -37.34 -38.52 0.23 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.483 ' CD ' ' HG ' ' A' ' 51' ' ' LEU . 21.0 mttp -66.95 -43.16 83.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 21' ' ' VAL . 77.6 mt -63.55 -44.61 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.534 ' HE ' HG12 ' A' ' 21' ' ' VAL . 29.9 mtt180 -51.59 -49.58 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 30' ' ' ARG . 24.7 mmtt -62.11 -36.71 82.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.863 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.86 -46.83 68.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.45 -43.25 70.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -101.23 37.68 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -80.73 141.18 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.7 mmtt -107.79 41.49 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.558 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 9.6 mm-40 -115.78 132.47 56.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 61.1 m -69.1 -46.21 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 32' ' ' GLU . 15.3 p-80 -58.02 175.93 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -88.21 -176.67 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -165.63 163.14 19.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.501 ' HB3' ' HB2' ' A' ' 55' ' ' LEU . . . -156.32 121.38 4.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 ' HD2' ' A' ' 27' ' ' PHE . 17.9 mt -110.79 119.22 59.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.944 HD12 ' CG ' ' A' ' 53' ' ' GLU . 21.8 mt -97.87 140.53 17.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 20' ' ' LEU . 12.0 mtm -134.46 142.46 47.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB3' ' NE ' ' A' ' 73' ' ' ARG . 0.0 OUTLIER -133.2 163.74 28.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 70.4 mt -108.03 130.32 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -77.28 -175.14 3.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.494 ' HD3' ' N ' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -111.72 -40.35 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.494 ' N ' ' HD3' ' A' ' 44' ' ' LYS . 41.4 m-20 -63.92 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' C ' ' HD3' ' A' ' 47' ' ' ARG . 11.9 mp0 -95.2 -6.35 41.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.422 ' HD3' ' C ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER 39.85 54.85 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.844 HD23 ' HB2' ' A' ' 17' ' ' ALA . 1.9 tp -120.85 140.14 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.638 HG12 ' CD2' ' A' ' 20' ' ' LEU . 39.7 t -68.23 113.22 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.1 m -121.89 159.34 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.778 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.2 tm? -64.14 125.75 25.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.521 ' N ' HD13 ' A' ' 51' ' ' LEU . 7.2 t0 -93.44 -43.38 8.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.944 ' CG ' HD12 ' A' ' 39' ' ' ILE . 7.0 pt-20 -174.43 160.0 3.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -123.53 122.07 37.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD21 ' OE1' ' A' ' 53' ' ' GLU . 21.7 mt -106.54 149.18 27.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -134.1 148.12 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 44.21 56.07 5.52 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG11 ' HB3' ' A' ' 55' ' ' LEU . 17.3 m -113.62 -179.9 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -124.04 158.98 58.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.652 0.739 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.447 ' HB3' HD22 ' A' ' 140' ' ' LEU . 54.1 Cg_endo -69.71 -16.65 37.88 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.696 2.264 . . . . 0.0 112.361 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -95.39 -23.4 17.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -94.56 -27.97 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.5 HD21 HG21 ' A' ' 75' ' ' ILE . 24.3 tp -61.43 -48.82 79.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.85 ' HB3' HD23 ' A' ' 135' ' ' LEU . 6.4 pttt -51.71 -33.45 34.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.55 -32.1 73.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.42 13.21 14.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.479 ' CD2' HG12 ' A' ' 75' ' ' ILE . 81.1 mt -114.96 152.46 46.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.65 0.738 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 128.09 15.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.657 2.238 . . . . 0.0 112.35 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.64 15.86 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.449 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 19.1 mtm105 -126.21 -30.81 2.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -125.91 145.68 52.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.582 ' HG2' ' CD2' ' A' ' 110' ' ' TYR . 53.9 Cg_endo -69.76 126.45 13.32 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.452 ' NE ' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -129.2 158.86 37.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.809 ' C ' HD12 ' A' ' 75' ' ' ILE . 22.1 m-85 -99.45 139.27 35.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.809 HD12 ' C ' ' A' ' 74' ' ' PHE . 1.7 mp -148.86 137.95 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.137 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.407 HG23 ' HE2' ' A' ' 40' ' ' MET . 92.7 t -119.31 101.43 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -100.17 160.18 14.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.8 t -133.49 95.07 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB2' HD21 ' A' ' 140' ' ' LEU . 79.7 t80 -72.89 169.07 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 79' ' ' TYR . 56.7 tttt -111.21 107.86 17.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.618 ' O ' HG23 ' A' ' 88' ' ' VAL . 1.9 t80 -96.0 104.18 16.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 83' ' ' HIS . 7.4 tm0? -88.07 136.04 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' ' NE2' ' A' ' 82' ' ' GLN . 84.2 m-70 -105.02 131.28 52.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -38.76 -51.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.88 -41.69 3.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.51 -36.12 1.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 89' ' ' SER . 1.9 tmm_? -68.16 145.3 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.861 0.362 . . . . 0.0 110.844 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 81' ' ' TYR . 5.1 p -144.33 134.95 20.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.426 ' HB2' ' NH1' ' A' ' 87' ' ' ARG . 9.2 t -129.21 162.85 26.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -112.72 92.51 20.56 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.76 . . . . 0.0 110.948 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 90' ' ' TYR . 53.6 Cg_endo -69.74 124.27 10.92 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.863 HD11 ' CD1' ' A' ' 27' ' ' PHE . 2.8 mm? -77.75 124.42 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . 0.602 ' SG ' HD21 ' A' ' 144' ' ' LEU . 84.8 m -124.07 155.29 38.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.908 ' HB2' HD13 ' A' ' 123' ' ' LEU . 33.9 t80 -105.31 110.22 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.658 HG21 HD13 ' A' ' 135' ' ' LEU . 39.7 mt -100.68 105.52 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -85.11 90.18 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.1 t -67.96 100.19 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.7 p -121.54 101.69 43.04 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 123.54 10.23 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.689 2.259 . . . . 0.0 112.381 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.825 HG13 ' O ' ' A' ' 130' ' ' ARG . 27.5 m -45.14 -31.61 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -79.26 26.3 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' CYS . . . . . . . . . . . . . 14.9 p -99.53 161.82 13.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.861 0.362 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -95.51 159.46 32.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 108' ' ' MET . 54.0 Cg_endo -69.77 -45.51 1.56 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -43.06 -30.14 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -91.26 -47.52 7.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 111' ' ' ALA . 4.5 mm100 -44.47 -37.6 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.404 ' HG3' ' O ' ' A' ' 104' ' ' PRO . 0.9 OUTLIER -68.02 -51.66 44.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.7 ttp -56.63 -49.02 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 82.2 m-85 -71.78 -40.66 69.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . -51.57 -69.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -55.04 -55.38 28.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.7 m -50.13 -41.74 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.84 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.515 ' HG3' ' CE1' ' A' ' 94' ' ' PHE . 18.6 ttpt -49.68 -57.93 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.6 t-20 -36.84 -62.83 0.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.605 ' HE2' HG22 ' A' ' 16' ' ' VAL . 15.7 tttt -43.48 -48.97 7.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.481 HD21 HG21 ' A' ' 49' ' ' VAL . 6.5 mt -50.89 -54.38 24.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.08 -18.65 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -95.85 -34.58 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.457 HG21 HG22 ' A' ' 21' ' ' VAL . 39.3 m -69.6 -46.54 66.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.27 -11.37 59.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 62.01 52.58 3.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.908 HD13 ' HB2' ' A' ' 94' ' ' PHE . 14.2 mt -91.86 162.58 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 24.0 p -125.75 -18.45 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.531 ' HB3' ' CZ ' ' A' ' 127' ' ' PHE . 2.6 mppt? -125.34 87.6 2.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.617 HG23 ' CD1' ' A' ' 94' ' ' PHE . 1.4 p -106.42 102.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.588 ' CD1' ' HB3' ' A' ' 143' ' ' LYS . 4.9 m-85 -95.65 165.08 12.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.29 132.81 30.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 30.2 pt -113.77 135.9 51.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.825 ' O ' HG13 ' A' ' 100' ' ' VAL . 4.6 ptt-85 -83.18 6.14 20.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.535 ' N ' ' OD1' ' A' ' 131' ' ' ASN . 0.5 OUTLIER -169.37 128.78 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.5 p -50.25 -33.91 21.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -56.84 -40.82 76.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -53.43 -37.78 62.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.85 HD23 ' HB3' ' A' ' 64' ' ' LYS . 16.5 tp -57.18 95.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 57.9 p -140.21 165.19 28.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -50.51 -55.72 14.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.07 -49.01 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . 0.473 ' NE1' ' HE2' ' A' ' 143' ' ' LYS . 48.8 t90 -54.13 -47.54 71.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.574 HD21 ' HB2' ' A' ' 79' ' ' TYR . 10.1 tp -49.42 -59.69 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -58.76 -28.81 66.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.75 -45.32 93.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 127' ' ' PHE . 5.2 mmmt -67.97 -40.16 83.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.602 HD21 ' SG ' ' A' ' 93' ' ' CYS . 69.4 mt -70.6 -35.71 73.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -126.36 69.44 0.51 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.7 t -101.58 49.31 0.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.841 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.43 142.55 7.69 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.543 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 117.54 5.14 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.745 2.297 . . . . 0.0 112.305 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 52.2 p -110.2 159.43 17.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 63.7 m -59.17 102.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.516 -179.93 . . . . . . . . 0 0 . 1 stop_ save_