data_2rrm_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 2rrm _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.633 0.254 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -107.66 127.22 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.038 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -133.1 137.21 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.803 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -114.47 128.07 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.75 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -128.86 148.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.47 118.92 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 mt -99.54 111.75 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -80.61 116.17 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 131.54 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.03 155.66 81.24 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -51.55 142.18 40.24 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.373 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.98 -40.74 2.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -153.85 -66.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.01 -77.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -59.51 -37.14 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 111.034 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.62 -23.53 19.07 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.084 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -130.24 166.77 26.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.38 118.13 33.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pp -65.35 147.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.342 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.01 133.91 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.59 -113.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 126.66 4.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -74.22 150.09 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 t -139.13 160.96 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.99 120.23 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.224 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -59.1 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.46 154.97 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.57 145.47 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -28.83 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.73 30.4 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.74 17.5 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.734 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.61 -154.01 7.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.32 -28.91 32.75 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.538 2.158 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -108.27 31.38 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.05 -48.38 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.86 59.08 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -139.6 -46.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.39 116.02 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.88 173.66 14.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -51.34 -31.43 21.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.35 -28.37 68.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.39 125.87 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 127.37 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.009 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.02 139.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.65 -37.86 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.3 ttp -142.84 148.56 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 t -135.68 120.54 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.31 32.27 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.26 -25.57 21.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.3 t -80.17 138.79 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 m -73.75 137.06 43.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.15 29.88 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.98 23.87 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -178.8 37.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.801 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.7 m -141.58 156.86 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -78.3 153.59 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -53.74 -38.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -50.51 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 39.7 t80 -60.2 -35.95 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -53.26 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.579 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.4 -37.79 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.642 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.405 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 4.7 pt20 -64.42 -25.6 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -50.2 30.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.49 -30.67 66.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -64.44 -27.37 68.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -22.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -51.75 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.82 -26.01 22.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.603 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.64 34.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -177.97 61.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.74 102.28 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 139.65 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.0 mt -130.94 136.76 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.0 m -98.5 116.58 31.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.99 159.57 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.03 148.94 47.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 25.6 tt0 . . . . . 0 C--O 1.227 -0.111 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.422 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.9 tt0 -106.63 128.92 54.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 111.499 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -132.37 138.63 47.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 t -111.01 124.09 51.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.59 150.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.96 112.52 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.29 116.42 31.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -76.33 131.35 39.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -58.05 119.95 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.56 159.06 33.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.16 146.85 93.13 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.115 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.55 -31.48 8.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.22 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -165.79 -50.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 -77.44 0.25 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.529 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 87' ' ' ILE . 1.7 t80 -59.45 -37.15 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.19 -20.88 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.885 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 pt -139.05 172.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.64 118.15 25.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 pt -77.37 159.47 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.09 134.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.34 -147.67 19.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.11 118.94 1.93 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.443 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.997 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.911 0.386 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 1.2 tp -71.85 143.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -125.93 158.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.015 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mp -83.34 116.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.7 p -74.73 -65.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -144.08 154.91 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.33 150.29 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -30.06 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt 65.68 31.47 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.06 16.81 1.94 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.36 -168.38 11.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.52 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.54 -32.4 43.59 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.581 2.188 . . . . 0.0 112.308 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.18 29.05 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -57.85 -32.1 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.17 26.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -38.4 10.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.767 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mt -120.95 125.14 46.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.86 173.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -25.52 24.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -58.4 -29.28 65.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.48 -169.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -146.13 121.09 10.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 t -77.82 129.84 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.72 -7.23 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -159.92 147.07 16.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.923 0.392 . . . . 0.0 111.302 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.87 120.3 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.834 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t30 56.27 32.23 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.86 -19.49 48.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.93 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.89 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.356 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 143.05 56.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.417 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.0 mmm -117.46 29.69 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.83 12.49 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.25 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t30 178.98 48.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.754 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.44 147.85 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.27 150.63 43.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -53.32 -41.38 65.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.26 76.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.21 -38.02 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.89 64.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.88 -44.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.479 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -25.05 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.227 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.1 -50.11 30.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.185 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' A' ' 17' ' ' PHE . 3.7 pp -72.21 -30.71 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -63.11 -27.34 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -25.18 68.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.205 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 m -53.49 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.088 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.53 -28.14 11.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.691 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.72 30.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t30 175.88 80.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.09 112.05 23.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.003 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.31 138.79 31.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 18.3 mt -129.42 128.35 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 m -98.37 128.83 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.63 166.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 1.1 mpp_? -134.04 148.96 51.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.022 0.439 . . . . 0.0 111.252 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.556 0.217 . . . . 0.0 110.537 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.57 133.85 51.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.977 0.418 . . . . 0.0 111.187 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -128.16 136.77 51.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.663 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.63 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.69 151.97 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 p -116.18 114.63 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.159 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mt -106.21 115.31 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 47' ' ' PRO . 28.4 p-80 -75.89 125.99 30.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -62.73 122.94 17.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.78 142.35 35.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.49 148.39 53.08 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.489 2.126 . . . . 0.0 112.292 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.11 -59.12 4.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.602 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.425 ' CD1' HD11 ' A' ' 43' ' ' LEU . 22.2 m-85 -83.36 -77.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.31 -104.74 0.92 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.761 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -90.28 -29.71 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.993 -179.714 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.71 -22.8 29.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.381 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.35 163.86 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.13 137.11 52.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -95.48 145.7 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.23 134.01 33.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.21 -149.55 20.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 129.03 2.94 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.383 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.111 -179.889 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.811 0.339 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -92.06 132.25 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.02 166.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.0 mm -76.13 118.36 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -67.16 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.42 153.98 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m -128.01 155.19 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -83.57 -15.58 48.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.304 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 28.3 pttt 45.89 38.04 4.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.81 0.338 . . . . 0.0 111.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.75 22.73 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.405 ' N ' HD12 ' A' ' 43' ' ' LEU . . . -139.35 -149.18 5.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 57.1 Cg_endo -70.7 -28.48 20.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.176 . . . . 0.0 112.417 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -113.53 34.34 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -40.19 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.51 24.21 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.589 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -86.32 -45.37 11.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.724 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 mp -120.91 125.18 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 173.82 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -50.63 -30.85 14.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.89 -29.73 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.54 116.34 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -81.33 122.88 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.38 132.8 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.67 -43.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.7 ttm -141.84 147.47 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.3 p -141.95 132.45 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 31.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.02 -23.53 30.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.093 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 p -90.68 140.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.6 t -71.24 136.62 48.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.1 mmm -101.87 23.68 11.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 22.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -177.3 36.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.714 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.18 157.74 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -79.76 153.54 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -56.89 -41.57 78.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.01 -36.62 72.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.03 -38.86 69.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.74 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.0 -46.7 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.587 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -58.31 -30.22 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 111.035 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -50.11 30.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.2 -31.82 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.264 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -66.98 -26.47 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.81 -17.29 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -51.22 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.71 -30.43 9.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.631 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.46 33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.734 0.302 . . . . 0.0 110.972 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.53 67.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.79 102.15 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.93 139.42 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 mt -130.81 130.47 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.53 132.02 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.0 pp -136.96 167.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.899 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -136.41 143.15 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.345 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' ' CD ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.162 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -107.6 127.3 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.018 0.437 . . . . 0.0 111.4 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -129.15 138.61 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.625 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -104.22 122.36 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.8 148.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.2 p -113.6 112.55 23.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.987 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.3 116.51 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -80.48 126.34 31.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 138.31 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.84 148.94 70.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -51.75 143.63 37.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.42 -49.39 0.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -134.52 -70.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.84 -84.31 0.37 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.721 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.453 ' CZ ' ' CD1' ' A' ' 78' ' ' LEU . 1.7 m-85 -69.24 -34.9 75.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.66 0.7 88.18 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.614 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.31 172.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.35 118.21 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 71' ' ' HIS . 2.4 pt -80.83 155.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.34 133.8 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.03 -134.16 5.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.645 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.68 99.26 2.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.249 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.863 0.363 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 0.8 OUTLIER -74.69 142.29 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' N ' HG13 ' A' ' 37' ' ' ILE . 16.9 t -129.54 160.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.78 119.54 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.171 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -55.28 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.0 154.98 28.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 m -126.47 138.46 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -24.73 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.74 31.46 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.81 14.61 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.725 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.48 -164.62 11.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.392 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.32 -24.65 57.52 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.571 2.181 . . . . 0.0 112.298 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.86 28.0 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.17 27.4 3.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.64 -41.57 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.3 mt -120.95 102.12 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 173.62 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -49.23 -29.16 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.71 -29.7 70.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.804 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.26 127.98 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.34 133.45 39.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.9 m -86.63 126.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.859 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.86 -30.19 7.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.393 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.9 ttp -140.58 144.74 36.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.0 p -137.57 119.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.87 32.24 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.6 4.5 79.78 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.844 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.5 t -107.59 137.63 37.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -66.34 143.11 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.42 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 6.3 mtp -118.34 26.66 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.36 24.22 10.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 179.46 43.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.719 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.56 147.14 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.326 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.49 153.82 41.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.408 ' CD2' HD11 ' A' ' 21' ' ' ILE . 6.2 t60 -49.6 -38.45 31.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.99 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -38.34 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.85 58.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.84 -41.07 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -61.26 -27.63 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 111.112 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -72.02 -50.13 31.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.218 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 3.7 pp -72.72 -30.57 64.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.8 m -56.0 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.054 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -29.21 11.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -166.73 30.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.8 p30 176.65 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.06 110.26 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.95 136.01 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.985 0.421 . . . . 0.0 111.117 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.84 138.11 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.85 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.98 123.24 41.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.8 pp -122.83 165.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.1 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.03 145.13 43.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 0.0 111.296 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.415 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.252 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 63.3 tt0 . . . . . 0 CA--C 1.523 -0.083 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.476 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.0 tt0 -106.88 130.75 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.049 0.452 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -118.86 138.07 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.306 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.1 p -108.62 118.03 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.061 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -119.67 147.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.038 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 m -107.92 113.98 27.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 mt -106.25 115.4 30.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -76.85 128.56 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -59.58 128.93 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.92 151.53 44.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.55 148.58 72.95 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.245 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.62 -42.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 43' ' ' LEU . 35.8 m-85 -117.25 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.48 -88.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.713 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -98.08 -32.65 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.733 0.302 . . . . 0.0 111.179 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.2 -23.71 34.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.69 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 pp -131.2 152.93 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 122.53 47.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.29 155.91 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.83 148.3 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.54 -104.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.49 119.1 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 110.923 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.751 0.31 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 3.4 tp -75.99 143.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 p -136.1 153.35 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.96 121.99 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.13 -55.18 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.74 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.87 150.55 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.72 147.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -74.43 -28.39 61.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.002 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt 65.13 30.18 11.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.62 16.41 2.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.675 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -168.24 11.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.518 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.74 -30.62 47.27 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.83 29.19 7.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -41.7 80.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.19 43.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.59 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.85 -40.0 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mt -120.92 106.71 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.94 171.84 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.77 -30.78 6.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -32.04 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.75 105.45 17.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.671 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.52 122.04 24.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.5 t -75.98 127.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.14 -25.34 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.546 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.6 ttm -150.3 149.01 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.97 120.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 t30 54.64 32.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.18 -26.17 18.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.763 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.75 128.62 38.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 143.02 58.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.402 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -121.14 27.95 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.09 12.89 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 177.66 55.32 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.68 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -131.54 153.43 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.05 153.64 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -51.19 -46.8 62.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.5 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.75 -36.18 83.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.2 -45.41 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.9 t -60.29 -50.69 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -58.93 -26.94 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.096 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.03 -50.25 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 17' ' ' PHE . 4.3 pp -72.62 -30.6 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -24.9 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -22.18 66.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.155 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.3 m -56.62 -73.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.15 -34.52 5.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.598 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 31.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 p30 179.69 74.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.22 107.17 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -92.75 138.69 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.61 126.24 60.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.8 p -98.46 126.82 44.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.24 167.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -133.2 145.9 51.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.301 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 16.3 pt-20 . . . . . 0 C--O 1.229 0.017 0 CA-C-O 120.66 0.267 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -107.4 127.16 53.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.135 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.415 ' CE1' ' HG3' ' A' ' 3' ' ' GLU . 24.6 m80 -130.78 138.59 49.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 t -115.66 116.97 29.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 t -118.29 150.01 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 4.5 m -102.53 119.06 38.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -106.09 114.89 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.41 119.22 10.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.79 120.3 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.86 155.54 42.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.59 157.73 4.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.606 2.204 . . . . 0.0 112.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.57 2.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -150.38 -64.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 0.0 110.824 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -77.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.683 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -60.04 -37.02 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.96 -17.28 56.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.852 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.404 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 2.1 pp -138.03 171.28 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.91 148.0 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.056 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.61 149.99 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 133.97 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.14 -125.07 3.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.56 111.81 3.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.636 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.7 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.634 0.254 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 0.7 OUTLIER -74.57 141.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 111.224 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.69 161.69 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.77 119.16 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.074 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -66.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.66 154.99 44.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 26.7 m -132.79 150.2 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -30.05 59.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 tttt 63.61 32.06 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.7 17.18 1.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.666 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -153.57 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 -30.54 22.34 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.617 2.211 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.81 28.99 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.229 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.56 -44.72 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.78 40.01 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.577 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -111.17 -39.88 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 mt -120.66 106.39 11.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 173.64 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -30.57 47.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -32.04 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.67 118.83 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 -84.46 126.78 33.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' ILE . 9.3 p -91.85 133.54 33.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.01 5.17 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.885 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -160.13 141.49 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 111.205 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.0 119.32 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.3 32.32 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.36 -25.94 22.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.688 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.4 145.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.224 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.2 m -77.03 143.07 39.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.456 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.4 mtt -116.8 27.98 8.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.09 23.21 11.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -180.0 38.76 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.45 146.66 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.69 153.7 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -54.32 -46.35 72.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.67 90.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.4 -36.83 83.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.02 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.03 -53.08 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -29.68 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -72.03 -50.16 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' A' ' 17' ' ' PHE . 3.9 pp -72.75 -30.99 64.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.404 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 24.6 ttt-85 -66.87 -25.04 66.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -25.95 68.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.3 m -54.3 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.71 -18.76 51.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.835 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -168.68 31.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.726 0.298 . . . . 0.0 110.875 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 174.65 73.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.86 105.65 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 5.9 pttt -95.67 139.6 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CG2' ' CG2' ' A' ' 58' ' ' VAL . 3.8 mp -130.83 132.83 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.037 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 m -98.46 118.63 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -126.15 163.55 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.3 138.68 45.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.638 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.5 OUTLIER . . . . . 0 CA--C 1.524 -0.053 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -107.54 127.3 53.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.898 0.38 . . . . 0.0 111.325 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -133.02 138.58 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.845 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 t -116.5 121.88 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.17 147.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -102.69 113.72 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mt -106.12 115.88 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -78.9 117.25 19.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -58.89 134.12 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.5 159.36 46.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.01 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.04 142.13 86.39 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.644 2.229 . . . . 0.0 112.248 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.07 -39.28 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CG ' HD11 ' A' ' 43' ' ' LEU . 24.4 m-85 -138.45 -71.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 -106.91 1.74 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.579 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -60.05 -37.19 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.62 -22.19 28.98 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.062 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -121.14 164.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.38 118.03 33.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 tt -80.23 131.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.81 133.98 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.58 24.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.661 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 138.4 98.42 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.381 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.521 -179.61 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.353 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 37' ' ' ILE . 40.2 mt -83.97 148.74 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.02 164.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -90.44 118.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.988 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -65.49 -66.83 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.95 154.28 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.7 134.78 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.363 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD11 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -59.89 -28.32 67.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.889 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 68.21 30.2 5.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.788 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.62 17.58 1.45 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.721 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.37 -171.76 13.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 -27.06 45.34 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.599 2.199 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -114.72 33.97 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.313 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.71 -47.24 80.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.67 32.82 2.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -105.11 -44.92 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mt -117.28 107.13 14.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.67 173.72 10.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -49.62 -31.85 11.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.45 -30.17 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.24 106.34 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.748 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -78.06 123.78 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.5 m -75.99 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.79 -35.56 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.42 150.95 38.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.97 119.28 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.43 32.34 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.4 4.51 80.49 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.82 127.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -57.11 142.44 42.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -117.87 36.9 4.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.12 27.81 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -179.93 41.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.0 m -142.91 149.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.338 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.478 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -73.77 153.72 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.789 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -49.71 -44.45 48.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.41 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.426 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 8.1 t80 -61.57 -34.88 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.6 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.4 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 t -63.77 -47.31 91.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.391 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -24.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.061 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -50.35 29.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.158 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.7 -30.74 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -26.16 61.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -63.74 -27.2 69.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -58.35 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.1 -29.5 9.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -168.81 31.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.15 72.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.24 113.3 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 139.52 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.05 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.93 130.18 63.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -98.53 118.89 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.6 pp -129.44 165.05 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.295 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.0 146.82 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.8 mm-40 . . . . . 0 CA--C 1.523 -0.058 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -107.21 127.26 53.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 111.495 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -122.18 138.53 54.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 p -114.11 115.58 27.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.7 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.52 150.14 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 9.9 t -107.96 114.28 28.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.34 113.1 26.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -76.04 124.56 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -58.19 140.98 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.31 147.94 46.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.62 146.14 45.07 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.533 2.155 . . . . 0.0 112.268 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.61 -60.31 4.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.597 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CD1' ' CD1' ' A' ' 43' ' ' LEU . 35.7 m-85 -82.26 -69.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.43 -81.89 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.681 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.418 ' CD2' HG13 ' A' ' 19' ' ' ILE . 3.4 t80 -93.85 -37.17 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.21 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.82 -26.29 17.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.649 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 17' ' ' PHE . 1.1 pt -133.42 172.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.22 118.02 25.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.09 145.53 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.35 141.91 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.32 -157.59 24.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.43 98.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.79 0.329 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 mm -82.89 137.41 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.0 p -133.93 158.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.4 mm -75.8 118.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -66.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.81 154.96 51.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.03 144.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.349 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.39 -27.24 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.05 32.69 15.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' CE2' ' A' ' 15' ' ' PHE . . . -144.04 14.8 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.726 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.05 -166.72 11.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.353 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -55.76 -32.39 84.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 0.0 112.304 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.96 26.85 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.366 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -42.7 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.22 33.11 1.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -105.92 -35.19 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -120.06 117.05 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.36 173.76 11.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.91 -31.93 19.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.25 -30.88 71.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.692 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 2.3 m-20 -97.9 103.33 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.735 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 121.24 22.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.1 t -77.47 126.79 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.87 -26.78 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.409 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 ttm -147.9 153.71 39.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -142.0 119.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.04 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.34 32.27 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -26.18 20.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.642 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -85.7 127.39 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.99 139.52 54.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 mtt -110.84 29.7 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -120.79 26.39 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.42 38.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.39 144.01 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.272 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.84 153.84 42.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -45.62 -51.49 12.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.672 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.09 -50.65 68.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.493 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -60.23 -33.7 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.22 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.438 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -71.95 -44.5 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.513 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -25.24 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.085 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -71.96 -50.27 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 3.6 pp -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -24.82 65.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.0 m -56.72 -81.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.52 -28.92 9.02 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.779 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.95 29.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.21 80.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.79 111.14 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 2.1 pttp -94.76 139.52 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.672 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.6 mm -128.46 134.87 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.225 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.5 m -98.31 114.86 27.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.357 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 56' ' ' ASP . 2.7 pp -124.48 164.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.246 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.06 148.76 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.254 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.817 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 17.1 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.521 0.201 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -107.74 133.1 52.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.05 138.19 46.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.002 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.0 p -112.22 125.79 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.765 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.25 150.9 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.77 115.19 29.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.06 114.07 27.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 129.87 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -59.91 124.05 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.86 159.15 33.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 151.08 86.82 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.542 2.161 . . . . 0.0 112.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.54 -45.87 2.0 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.376 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CD1' HD13 ' A' ' 43' ' ' LEU . 34.4 m-85 -133.76 -69.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.671 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.51 -87.76 0.43 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.907 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 5.2 m-85 -61.79 -37.08 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.03 -23.7 25.24 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.694 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -133.08 172.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.91 124.05 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 pp -77.86 156.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.142 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.37 141.92 35.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.64 -156.19 20.91 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 144.36 109.75 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.247 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.79 140.18 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.05 163.06 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.5 mm -78.36 110.1 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.9 t -67.41 -69.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -148.49 154.93 40.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 26.9 m -128.14 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.253 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.18 -29.77 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.874 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 65.39 31.87 10.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.19 19.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.598 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.63 -151.84 7.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.02 -26.18 21.96 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.576 2.184 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -114.3 34.44 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.22 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.22 -34.58 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.25 28.08 2.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -105.58 -39.6 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.9 mt -120.97 122.67 40.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.22 173.75 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.04 -33.3 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -65.92 -30.92 71.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.09 105.94 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -78.7 123.11 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.9 p -82.74 131.57 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.12 -26.19 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.35 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.5 ttm -151.07 146.46 26.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.5 t -134.49 119.57 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.5 t30 55.51 32.22 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.49 78.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.027 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.68 126.84 64.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 142.95 45.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.8 mmt -120.77 26.64 8.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -94.48 -13.72 25.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -162.73 64.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.78 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -135.17 148.38 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.029 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 6.0 pt-20 -77.4 146.67 36.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.027 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -46.08 -48.29 17.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.419 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -63.89 -40.32 96.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.686 179.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.14 56.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 12.7 t -57.8 -48.1 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.338 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 8.7 pt20 -59.83 -24.85 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -50.47 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -72.79 -30.67 64.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.638 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -31.66 72.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -66.4 -27.17 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -54.27 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.82 -38.64 3.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.682 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.69 32.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.975 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -179.17 71.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.47 109.97 21.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.71 138.7 31.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.2 mm -128.12 132.34 68.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.144 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.4 m -98.41 114.68 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.04 159.47 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.383 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.78 137.91 43.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.676 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.9 mm-40 . . . . . 0 C--O 1.225 -0.186 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.489 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 50.2 tt0 -106.6 126.87 52.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.479 . . . . 0.0 111.448 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -133.39 139.16 46.62 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.954 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.49 115.33 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.026 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.85 140.63 40.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.335 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 1.7 m -95.85 111.96 23.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.05 115.9 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -76.32 125.54 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -54.93 130.46 41.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.65 159.1 43.54 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.48 151.31 83.32 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.617 2.211 . . . . 0.0 112.241 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.63 12.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.426 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CG ' HD11 ' A' ' 43' ' ' LEU . 97.2 m-85 -152.48 -60.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.57 -98.17 0.99 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.708 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 34.3 m-85 -59.56 -36.92 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.9 -14.74 63.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.825 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 pp -140.56 168.7 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 111.299 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.21 128.32 56.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.04 145.43 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.235 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 135.17 25.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.37 -151.99 19.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.76 123.19 2.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.4 HG22 HD11 ' A' ' 37' ' ' ILE . 29.0 mm -73.77 148.18 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.1 158.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.22 120.0 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -68.98 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.45 155.02 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.748 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -125.21 144.84 33.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 111.404 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD11 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -70.41 -30.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.21 31.69 6.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.809 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.97 16.81 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.743 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.33 -170.93 12.4 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.445 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.63 -28.92 39.11 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.588 2.192 . . . . 0.0 112.357 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.91 26.83 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.299 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -42.1 88.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.6 39.99 1.47 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.598 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.0 -42.7 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.3 mt -112.69 114.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.98 173.73 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.88 -29.07 4.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -32.06 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.703 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.08 93.52 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -66.15 126.57 29.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.31 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.22 -33.58 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.286 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 ttp -152.88 155.75 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -141.45 119.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 51.48 32.4 8.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.43 -26.28 22.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.582 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.97 125.11 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -61.48 139.57 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.404 ' CE ' ' CB ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -109.58 31.29 5.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.24 18.32 13.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.65 54.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -142.9 148.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.34 153.69 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -46.79 -38.41 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.564 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.85 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.0 m-85 -61.31 -33.82 74.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.404 ' CB ' ' CE ' ' A' ' 66' ' ' MET . . . -71.95 -52.98 14.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.462 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.65 -40.48 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.42 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 14.5 pt20 -66.94 -27.75 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.148 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -50.25 39.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.055 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.44 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -72.83 -30.69 64.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -67.48 -27.24 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -63.88 -23.77 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -58.58 -66.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.0 -37.1 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -168.79 31.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -179.94 72.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.79 119.9 39.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 1.7 ptmt -96.15 135.5 37.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.8 mt -130.71 132.86 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.2 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.54 118.55 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.203 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.26 162.62 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.609 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.676 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.79 143.94 51.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.399 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.044 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.547 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 3.9 tt0 . . . . . 0 C--O 1.226 -0.161 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.446 ' HB2' ' HG2' ' A' ' 90' ' ' ARG . 1.6 tt0 -106.55 132.39 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.159 0.504 . . . . 0.0 111.621 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -132.99 138.55 46.88 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.48 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 122.76 48.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 142.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.58 116.42 31.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.56 109.54 21.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.747 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -65.93 110.7 2.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.71 120.63 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.6 158.63 34.97 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.09 147.12 42.39 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.97 -28.25 13.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.555 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' HD13 ' A' ' 43' ' ' LEU . 74.1 m-85 -135.17 -61.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.07 -95.52 1.12 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CE2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.11 -36.69 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.933 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.9 -1.21 87.95 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.976 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.8 156.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 111.334 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.45 118.14 27.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 71' ' ' HIS . 2.2 pp -76.51 151.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.69 133.85 29.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.38 -145.25 15.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.418 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 112.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 111.21 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.776 0.322 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -115.73 113.95 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.31 166.15 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.6 mm -75.72 119.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -47.15 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -152.27 154.86 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.41 134.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.251 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -56.87 -26.38 58.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 68.52 30.25 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.92 14.3 2.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.673 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.4 -175.04 14.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.37 -25.87 25.89 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.629 2.22 . . . . 0.0 112.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.72 33.18 5.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.255 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -55.2 -41.25 71.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.14 28.36 2.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -98.93 -37.63 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mt -118.62 127.91 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.0 173.68 11.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.9 -30.02 44.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.6 -31.56 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.41 113.8 25.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 118.35 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -82.02 128.71 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.5 -32.14 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.313 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.2 ttm -145.64 147.9 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 111.244 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 60.9 t -140.19 119.31 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t30 53.64 31.85 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.361 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.77 -26.25 24.81 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.381 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 61' ' ' VAL . 12.0 p -86.23 145.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 117.008 0.404 . . . . 0.0 111.542 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -76.44 143.06 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.2 mmt -108.95 28.73 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.72 21.73 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -179.34 38.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.7 m -128.53 147.88 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.11 153.63 39.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.417 ' CD2' HD13 ' A' ' 21' ' ' ILE . 12.9 t60 -49.84 -55.15 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.45 92.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -36.7 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.31 -46.65 48.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -58.28 -42.47 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.279 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.02 -27.99 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -69.73 -50.16 46.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.796 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD1' ' CE2' ' A' ' 17' ' ' PHE . 3.5 pp -72.67 -31.2 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.771 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -67.61 -24.87 65.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -23.91 67.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.226 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.1 m -57.48 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.713 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.95 -28.7 10.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.662 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -167.19 32.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.81 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.13 76.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.28 113.59 26.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -95.7 139.51 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.6 mm -124.83 129.35 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.256 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.52 121.8 40.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.18 159.68 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -135.91 139.68 43.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.43 . . . . 0.0 111.5 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.635 0.255 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -107.4 127.15 53.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 111.01 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -126.39 138.52 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 p -114.74 120.7 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.74 152.75 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.22 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.9 p -111.07 116.07 30.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 mt -106.07 115.84 30.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.036 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -77.21 120.27 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -58.76 121.68 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.43 159.21 36.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.14 142.14 94.37 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.612 2.208 . . . . 0.0 112.145 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.56 -28.94 11.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.389 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 43' ' ' LEU . 2.4 m-85 -160.26 -75.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.328 . . . . 0.0 110.81 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.16 -84.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.702 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 87' ' ' ILE . 1.2 t80 -59.69 -36.83 77.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.65 -22.46 35.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.709 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.421 HD11 ' CD2' ' A' ' 17' ' ' PHE . 2.3 pp -139.33 172.51 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.78 119.17 27.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.413 HD13 ' CD2' ' A' ' 71' ' ' HIS . 1.6 pt -77.75 166.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 134.02 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.52 -137.22 5.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.55 107.52 1.43 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.187 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.668 0.27 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 1.6 tp -71.71 145.87 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.36 159.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.771 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.72 121.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 0.0 111.298 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.05 -61.26 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -147.72 154.48 40.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.6 m -128.72 155.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -82.89 -31.18 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mttm 63.29 33.39 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.8 15.07 2.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.709 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.63 -157.0 8.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.4 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.21 -25.54 36.88 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.53 2.154 . . . . 0.0 112.406 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.37 28.69 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -37.29 86.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.66 41.94 1.05 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.539 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -40.38 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -118.44 125.77 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -149.0 173.59 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -32.71 3.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -41.29 96.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.78 87.61 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.18 132.03 52.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.8 t -82.07 139.03 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.26 -42.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -143.49 153.83 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.173 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.01 123.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.22 32.28 7.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.95 -26.36 19.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.649 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.67 122.42 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -67.02 135.95 54.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.423 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 7.3 mtt -111.33 37.31 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.18 14.31 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.04 36.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.742 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.1 m -131.64 147.56 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 153.59 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.413 ' CD2' HD13 ' A' ' 21' ' ' ILE . 38.2 t-80 -51.97 -48.99 64.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.17 88.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.93 -37.61 82.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.741 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.44 -38.2 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 t -67.33 -38.15 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.499 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -66.94 -28.59 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -72.13 -50.08 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.38 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 1.7 pp -67.84 -46.25 72.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.257 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -66.33 -24.88 66.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -63.76 -24.7 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.074 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 m -54.41 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.56 -38.19 3.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.659 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 31.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -177.5 70.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.4 112.62 25.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.022 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.18 139.47 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 3.5 mp -128.28 131.71 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.313 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 m -98.61 118.7 35.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.6 pp -130.63 162.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.38 146.01 46.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.835 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.5 tt0 . . . . . 0 C--O 1.227 -0.129 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.538 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 41.2 tt0 -106.62 134.55 49.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.094 0.473 . . . . 0.0 111.443 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -133.02 138.79 46.92 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.44 119.15 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.24 152.52 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 9.7 t -110.9 114.02 27.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.09 115.68 30.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -77.51 120.4 22.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -57.92 130.68 47.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.65 147.42 38.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.32 157.01 9.66 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.501 2.134 . . . . 0.0 112.28 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.61 -52.19 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.556 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 58.2 m-85 -111.79 -73.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.25 -101.2 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.695 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -64.09 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.5 -19.9 47.7 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.768 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 1.5 pt -138.77 172.71 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.335 . . . . 0.0 111.158 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.44 118.12 29.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.99 157.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.98 133.82 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.21 -144.45 10.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.42 89.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.706 0.288 . . . . 0.0 111.39 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.787 0.327 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.404 ' N ' ' CD1' ' A' ' 37' ' ' ILE . 2.5 mp -88.4 113.9 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.68 166.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 mp -84.67 115.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -70.64 -61.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.12 154.87 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 28.2 m -123.53 148.98 27.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' CD1' ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -75.05 -29.17 60.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.008 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt 65.19 31.24 10.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.49 16.55 2.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.711 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.18 -171.06 12.46 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.78 -30.09 45.35 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.543 2.162 . . . . 0.0 112.4 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.44 32.12 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -31.85 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.68 27.07 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.572 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.23 -43.63 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mt -118.6 121.01 39.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.47 173.68 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -51.23 -29.95 15.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -67.61 -29.91 69.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -100.97 116.25 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 134.93 35.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.35 131.73 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.993 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.01 -30.19 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -156.2 153.63 29.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.82 119.34 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.33 32.44 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.17 82.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.874 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.1 t -100.98 126.61 54.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.07 131.71 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.9 mmt -104.72 25.18 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.099 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -124.76 21.44 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.0 p30 176.11 52.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.3 m -142.82 144.97 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.289 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 153.69 42.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.17 -38.34 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.718 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.38 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.35 -37.51 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.25 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.205 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.98 -46.51 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.585 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -59.94 -33.46 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -50.02 31.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.81 -30.52 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -24.9 63.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.223 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -63.87 -17.2 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.303 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.7 m -52.14 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.758 0.313 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.18 -40.51 2.52 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 31.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -177.98 70.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.65 109.0 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 2.8 ptmt -94.36 133.49 37.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.757 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -130.8 137.19 56.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.325 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.4 120.72 39.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.249 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.48 168.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.39 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -132.45 138.3 47.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.709 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 5' ' ' HIS . 25.2 tt0 . . . . . 0 C--O 1.23 0.066 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -107.0 127.13 53.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.411 ' CE1' ' HG2' ' A' ' 3' ' ' GLU . 76.3 m80 -129.23 139.18 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.053 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.71 122.26 44.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.89 153.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.55 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.1 t -122.68 112.46 17.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -105.93 116.71 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -76.38 104.51 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 38.4 mtp180 -47.78 116.59 1.53 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.65 155.75 41.68 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.54 148.67 14.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.665 2.243 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 15' ' ' PHE . . . 94.44 -44.83 2.24 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.552 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 15.8 m-85 -168.22 73.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.309 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -39.83 -54.59 2.92 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.421 ' CD2' HD12 ' A' ' 19' ' ' ILE . 5.9 t80 -70.15 -37.44 75.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.787 0.327 . . . . 0.0 111.057 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.407 ' C ' HG13 ' A' ' 19' ' ' ILE . . . 66.97 5.72 34.19 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.265 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.421 HD12 ' CD2' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -136.49 165.05 29.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 117.111 0.455 . . . . 0.0 110.959 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.52 118.0 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.66 136.54 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.495 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.48 133.91 37.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.71 -98.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.78 110.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.559 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 37' ' ' ILE . 3.9 mp -87.16 149.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.9 t -142.2 162.05 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.44 122.19 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -79.39 -51.25 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.14 152.51 7.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.9 m -116.17 136.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.327 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -21.22 59.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt 62.36 30.15 17.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.757 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.03 16.68 1.74 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.665 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.9 -154.94 8.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.378 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.11 -26.51 18.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.48 2.12 . . . . 0.0 112.38 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.09 26.16 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.388 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -51.67 -33.55 34.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.67 53.19 0.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -133.98 -49.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.66 124.51 49.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.7 173.72 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -54.2 -33.6 58.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -58.57 -30.3 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.91 119.45 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -83.65 136.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.87 138.93 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.81 -50.07 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.4 ttm -139.08 149.25 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.6 t -135.46 119.36 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.25 32.38 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -26.23 20.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.24 139.34 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.039 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.88 138.15 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmm -110.13 35.75 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -105.23 -9.96 17.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.542 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -167.77 68.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.398 . . . . 0.0 111.2 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.406 ' CG2' HD13 ' A' ' 37' ' ' ILE . 27.0 m -142.93 142.25 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 8.3 pt-20 -73.8 147.86 43.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.824 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -43.31 -49.21 6.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.669 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.85 -43.74 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.355 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -68.92 -35.37 76.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.93 -39.89 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.89 -39.54 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.328 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 6.3 pt20 -68.2 -37.06 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -60.61 -50.14 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 4.3 pp -72.34 -31.24 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -25.93 68.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -63.87 -26.7 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -54.66 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.11 -30.35 8.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.582 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.19 32.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 179.26 72.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.37 109.16 21.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -95.0 137.08 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 111.249 -179.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.79 138.05 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.881 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.3 115.81 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.35 155.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.287 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 147.3 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 7.4 mt-10 . . . . . 0 C--O 1.225 -0.216 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.513 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 16.6 tt0 -106.63 129.25 54.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.16 0.505 . . . . 0.0 111.727 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -132.41 138.69 47.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.783 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -104.57 127.01 52.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.68 153.14 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 t -108.98 114.59 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mt -106.1 111.65 24.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -58.33 147.99 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.68 159.13 67.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.45 146.74 90.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.53 2.154 . . . . 0.0 112.3 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.56 -47.56 1.9 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -71.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.686 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.95 -94.37 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.62 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -37.22 77.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.082 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.55 -8.42 54.56 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.279 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 1.1 pt -140.46 166.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.997 0.399 . . . . 0.0 111.198 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 118.29 34.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.35 135.69 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.24 146.02 51.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.35 -146.42 17.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.0 116.88 2.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.858 0.361 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.8 mt -89.34 143.89 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.79 158.44 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.2 mm -78.51 122.06 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.39 154.89 42.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.417 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 34.6 m -129.95 135.64 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -26.9 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.997 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tptt 67.32 29.18 7.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.96 13.88 2.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.682 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -121.7 -164.2 12.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.41 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.34 -27.47 85.08 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.634 2.223 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.94 36.43 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.48 -39.16 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.78 35.44 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.446 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -108.47 -37.97 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 mt -120.86 131.71 54.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.73 173.81 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.57 -30.24 29.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -28.03 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.82 116.64 29.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -84.09 114.21 21.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.198 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.99 130.97 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.62 -15.36 7.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttm -159.02 144.1 15.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.945 0.402 . . . . 0.0 111.517 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.5 t -140.27 120.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.587 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 58.68 32.29 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.77 -17.12 56.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.881 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.1 135.85 24.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -65.36 143.02 58.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.8 mmt -121.73 27.48 8.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -114.04 21.81 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.78 39.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 m -129.71 158.03 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.61 153.52 40.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -54.47 -50.03 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.13 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.52 -39.28 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.278 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.04 -38.99 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.45 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -66.29 -28.0 68.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.71 -50.34 58.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.78 -31.36 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -65.48 -28.66 69.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -27.27 69.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.7 m -59.08 -72.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.81 -28.71 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.535 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -166.47 31.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m120 178.97 72.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.49 110.76 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 134.9 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 87' ' ' ILE . 40.8 mt -130.85 127.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -98.47 133.44 42.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.7 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 pp -139.15 166.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -136.3 137.79 41.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 111.43 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.597 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.133 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.568 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 13.8 tt0 -106.95 133.58 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.16 0.505 . . . . 0.0 111.651 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -133.07 139.0 46.92 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.65 119.03 38.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.67 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.32 139.23 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -95.27 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.3 mt -106.03 115.21 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -75.58 117.09 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -59.23 128.76 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.93 159.15 48.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.95 142.61 82.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.633 2.222 . . . . 0.0 112.28 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.49 -28.5 15.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.451 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 66.7 m-85 -144.47 -69.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.33 -101.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.732 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -59.44 -37.19 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.72 0.295 . . . . 0.0 111.088 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.45 -19.18 33.49 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.098 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -130.87 172.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.82 131.66 47.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.7 mm -79.59 141.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.77 134.01 27.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.37 -135.42 9.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.46 135.92 4.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 111.104 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.901 0.381 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.35 155.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.196 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -128.6 166.09 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.137 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 mm -87.13 117.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.29 154.88 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -122.13 143.64 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CD1' ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -67.37 -26.82 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.975 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.33 30.65 6.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.44 18.97 1.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.726 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.94 -168.38 11.3 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.56 -28.0 27.21 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.54 2.16 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.11 33.96 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.54 -48.67 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.04 33.36 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.588 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.31 -43.7 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 mt -120.79 114.21 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.7 173.79 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.31 -30.65 7.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.45 -31.1 71.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.05 115.81 30.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.657 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -81.16 120.62 25.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 p -79.34 130.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.78 -26.54 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -149.74 149.45 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.965 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.83 119.39 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 58.42 32.36 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 4.38 85.54 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.66 127.94 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.797 0.332 . . . . 0.0 111.06 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.95 143.03 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 mmt -114.54 30.19 7.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.23 16.98 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -178.96 37.84 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.789 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.88 153.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.42 148.94 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 72' ' ' ALA . 9.6 p-80 -51.85 -38.32 55.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 71' ' ' HIS . . . -65.03 -40.56 95.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.73 -35.96 79.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.809 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.36 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.358 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.29 -42.89 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.352 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -60.51 -29.91 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.12 -50.16 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.15 -30.69 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.996 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -64.14 -28.65 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -68.01 -22.05 65.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -50.86 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.51 7.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -172.7 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -178.77 64.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.49 108.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -93.78 137.82 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.093 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.98 129.82 63.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.46 130.37 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -143.1 166.88 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.441 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -129.87 140.88 50.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.759 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 26.2 mm-40 . . . . . 0 C--O 1.227 -0.118 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HB2' ' HG2' ' A' ' 90' ' ' ARG . 7.1 tt0 -106.89 126.9 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.012 0.434 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -129.87 138.77 51.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.649 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -108.2 115.11 29.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -113.24 150.26 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 7.1 m -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt -106.29 116.64 32.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -65.09 116.19 6.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -58.2 145.64 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.972 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.08 136.72 28.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 159.96 6.6 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.451 2.101 . . . . 0.0 112.188 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.93 -54.37 4.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' HD23 ' A' ' 43' ' ' LEU . 41.1 m-85 -104.59 -70.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.827 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.76 -96.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.575 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE1' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -98.14 -26.99 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.677 0.275 . . . . 0.0 110.952 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.69 -20.08 15.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.645 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 pt -127.97 172.53 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 118.19 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 tt -72.91 133.29 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.429 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.57 133.88 42.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.93 -166.4 25.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.88 114.7 0.94 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 111.134 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.837 0.351 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mt -103.49 138.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.04 161.28 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mp -74.33 123.61 30.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -46.57 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.53 154.93 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 m -130.39 151.4 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.258 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -77.41 -29.22 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 64.49 33.16 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.58 16.62 1.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.723 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.73 -156.09 8.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.37 -30.91 29.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.539 2.159 . . . . 0.0 112.156 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.78 28.93 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.01 -39.41 78.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.2 32.19 2.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -109.31 -38.0 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mt -120.94 123.85 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -146.68 173.64 12.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.25 -35.19 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.71 70.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.67 107.7 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.81 134.89 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.2 t -87.12 132.56 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.86 -35.04 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.362 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.4 ttm -152.95 147.41 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.97 125.52 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 t30 51.49 31.87 8.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.434 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.67 -26.29 22.66 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.403 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.8 p -85.55 145.12 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.455 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -73.75 142.96 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.9 mmm -117.17 25.21 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.0 24.92 9.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 178.88 42.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.36 153.08 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.28 153.68 33.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -52.97 -38.64 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.77 -35.35 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.09 57.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.483 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.16 -42.7 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.498 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.99 -35.03 75.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.965 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -70.14 -50.09 43.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.45 ' CD1' ' CE1' ' A' ' 17' ' ' PHE . 4.4 pp -69.65 -30.67 68.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -69.1 -25.09 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.033 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -23.37 67.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -54.33 -79.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.051 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.71 -29.75 8.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.89 31.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 178.32 79.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.392 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.81 110.62 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.82 132.35 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.2 mt -124.05 131.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 120.46 38.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.04 164.59 34.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.349 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -135.21 148.92 49.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.768 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.3 tt0 . . . . . 0 C--O 1.227 -0.117 0 CA-C-O 120.56 0.219 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.541 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 50.8 tt0 -106.36 127.4 53.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.109 0.481 . . . . 0.0 111.279 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -131.58 139.01 49.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.28 124.78 49.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.797 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.59 142.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.66 116.08 30.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mt -106.06 115.49 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -73.69 122.59 22.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -63.66 144.38 57.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.96 142.84 34.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 146.51 60.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.457 2.104 . . . . 0.0 112.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.16 -61.28 4.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.626 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.38 -70.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.22 -109.23 1.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -80.68 -27.57 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.915 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.9 -20.56 41.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.077 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.1 pt -119.28 172.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.44 118.18 22.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.81 152.03 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.84 134.03 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.76 -140.01 8.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.96 122.65 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.98 147.57 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 p -141.27 159.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.0 113.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -72.34 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.16 154.53 37.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.64 136.29 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.26 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -24.63 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.996 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 31.95 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.776 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.3 17.2 1.32 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.748 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.08 -155.39 9.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 -27.11 22.87 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.172 . . . . 0.0 112.365 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.76 35.32 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -57.29 -37.83 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.09 31.54 2.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.94 -38.9 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.8 mt -121.0 133.24 55.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.94 173.67 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.62 -30.43 21.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -64.58 -31.67 72.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -95.53 113.81 25.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.694 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -82.96 116.68 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -75.99 123.2 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.67 -21.66 10.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.522 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.6 ttp -154.49 153.35 31.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.92 0.39 . . . . 0.0 111.073 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.5 p -142.02 119.66 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.837 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t30 53.74 32.21 14.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.68 -26.18 21.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.772 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.21 127.27 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.363 . . . . 0.0 111.323 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 m -56.86 143.03 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.96 31.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.31 26.29 7.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -178.67 38.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.69 154.54 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 153.64 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -54.24 -41.88 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.81 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -60.12 -36.51 77.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.067 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -53.42 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.545 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.88 -40.88 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.472 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -67.5 -25.15 65.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.219 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -50.46 29.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.052 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -38.97 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.813 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -64.99 -24.99 67.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -63.69 -22.16 66.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.093 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.8 m -54.3 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.6 -33.89 6.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -165.1 31.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -179.41 69.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.92 108.1 19.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 136.39 36.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.3 mt -130.21 131.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.44 123.93 42.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.04 159.68 38.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.455 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.622 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -121.26 133.72 55.15 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.034 0.445 . . . . 0.0 111.324 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.798 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.617 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 59.2 tt0 . . . . . 0 C--O 1.227 -0.131 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.563 ' CB ' ' HG3' ' A' ' 90' ' ' ARG . 11.4 tt0 -106.28 137.49 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.256 0.55 . . . . 0.0 111.818 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -133.15 138.79 46.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.497 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.03 121.7 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.97 143.0 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -98.5 116.71 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.3 mt -106.16 114.56 28.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -74.91 116.2 15.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 118.11 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.51 159.2 33.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.38 148.13 88.02 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.566 2.178 . . . . 0.0 112.237 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.24 -34.72 5.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.385 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 43' ' ' LEU . 3.3 m-85 -156.5 -56.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.98 -89.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.659 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -59.38 -37.07 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 0.0 111.132 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.1 -22.04 28.01 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 113.056 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.5 pt -124.03 161.02 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 111.292 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 119.02 36.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 pt -82.1 136.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.17 133.95 53.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.8 -157.11 26.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.32 115.63 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 0.0 111.066 -179.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.0 mt -79.05 132.06 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.16 160.62 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 mp -76.71 110.23 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -61.3 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -156.37 154.88 31.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 17.9 m -122.62 138.74 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD23 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.84 28.77 10.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.797 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.69 12.49 2.93 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.719 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.34 -171.47 12.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.5 -29.4 40.02 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.538 2.159 . . . . 0.0 112.372 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.7 25.27 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.301 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.98 -43.52 91.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.65 52.84 0.72 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.561 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -130.52 -46.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -113.77 120.32 40.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -151.12 173.67 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -50.55 -29.46 10.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -27.75 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.93 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.04 121.49 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.78 127.12 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.81 139.1 18.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.17 -43.27 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.4 ttp -146.74 152.47 38.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.993 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 47.4 t -141.97 121.99 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 53.85 31.88 14.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.73 -25.84 25.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.386 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 64' ' ' VAL . 12.1 p -85.58 137.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.457 . . . . 0.0 111.575 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.4 p -77.19 143.2 39.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.7 mtt -110.45 29.16 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.46 10.89 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -179.57 46.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.665 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.9 m -134.0 152.39 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.65 153.54 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -55.54 -47.07 76.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.752 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.92 -40.05 91.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -33.73 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.7 t -69.17 -48.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -59.78 -29.68 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.04 -50.01 32.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.89 -30.69 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -25.67 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -27.29 69.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 m -57.72 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.61 -29.19 10.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -173.81 35.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -177.14 64.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.07 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -92.04 139.62 30.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.978 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.79 133.4 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.46 127.98 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.4 163.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.617 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -123.8 136.1 54.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 111.237 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.691 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.044 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -107.36 127.61 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -132.99 138.64 46.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 t -116.53 118.03 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.703 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.66 149.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.222 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.3 m -104.24 117.94 35.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.991 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mt -106.28 115.04 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -76.68 121.52 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -60.35 128.94 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.52 146.13 46.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.88 150.22 30.88 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.532 2.154 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.81 -51.7 3.86 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.574 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CG ' HD11 ' A' ' 43' ' ' LEU . 79.1 m-85 -106.47 -76.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.95 -108.34 1.73 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.697 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -67.76 -35.74 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.4 -23.33 32.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.833 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.419 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 pp -130.69 156.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 111.218 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.39 132.28 55.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -91.08 162.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.93 134.05 19.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.7 -138.97 8.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.46 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 118.26 93.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.998 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.7 0.285 . . . . 0.0 111.615 -179.258 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.768 0.318 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.3 mm -103.26 143.76 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.84 159.03 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 mp -74.03 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.31 -54.49 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.27 154.93 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.1 m -131.11 137.37 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.289 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD11 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -61.72 -27.89 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.71 28.22 17.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.95 13.32 2.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.734 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.64 -158.09 9.52 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.41 -28.03 46.71 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 112.211 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.15 32.32 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.59 76.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.32 28.94 2.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.07 -39.37 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -120.9 125.21 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.24 173.74 13.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.95 -33.73 52.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -59.4 -29.65 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 99.95 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -64.03 140.26 58.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 t -88.21 130.64 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.8 -36.28 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttp -149.85 149.34 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.5 m -138.3 119.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 56.23 32.3 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.38 4.47 80.56 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.987 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.74 131.2 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.861 0.362 . . . . 0.0 111.161 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.1 142.98 53.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.0 mmm -123.79 37.71 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -119.85 22.75 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t30 173.91 48.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.876 0.369 . . . . 0.0 110.738 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.15 152.97 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.46 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 23.3 tt0 -68.72 153.11 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.402 ' CE1' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -57.78 -43.81 85.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.09 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -34.4 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.37 -45.9 52.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.18 -44.96 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -23.99 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -50.17 31.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.38 -32.45 66.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.32 -25.01 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.919 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -19.53 65.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.5 m -52.62 -67.47 0.25 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.41 -43.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.582 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -166.74 32.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.86 65.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.95 106.59 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.05 139.71 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.89 131.51 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.225 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -98.64 121.21 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 pp -129.03 165.66 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.459 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.09 147.36 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.22 -28.14 23.43 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.508 2.139 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -176.16 131.1 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -133.71 13.85 4.75 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.755 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.04 30.97 17.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.72 -64.51 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 61.24 50.11 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.63 120.35 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.804 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -108.3 148.12 30.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.264 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -130.89 150.93 51.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.489 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -107.66 127.22 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.038 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -133.1 137.21 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.803 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -114.47 128.07 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.75 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -128.86 148.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.47 118.92 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.2 mt -99.54 111.75 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -80.61 116.17 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 131.54 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.03 155.66 81.24 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -51.55 142.18 40.24 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.373 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.98 -40.74 2.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -153.85 -66.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.01 -77.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -59.51 -37.14 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 111.034 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 89.62 -23.53 19.07 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.084 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -130.24 166.77 26.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.38 118.13 33.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pp -65.35 147.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.342 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.01 133.91 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.59 -113.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 126.66 4.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.08 -33.25 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.92 39.7 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 170.4 8.3 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.98 -42.42 58.55 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.497 2.132 . . . . 0.0 112.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -123.23 133.69 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -145.01 160.89 40.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.06 126.05 46.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -73.09 116.81 14.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.07 11.59 6.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.453 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -145.46 -73.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.0 110.636 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p 49.8 35.23 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.254 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.5 p -108.18 134.88 50.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.031 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.6 mt -74.22 150.09 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 t -139.13 160.96 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.99 120.23 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.224 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -59.1 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.46 154.97 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.57 145.47 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -28.83 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.73 30.4 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.74 17.5 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.734 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.61 -154.01 7.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.32 -28.91 32.75 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.538 2.158 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -108.27 31.38 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.05 -48.38 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.86 59.08 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -139.6 -46.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.39 116.02 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.88 173.66 14.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -51.34 -31.43 21.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.35 -28.37 68.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -116.39 125.87 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 127.37 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.009 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.02 139.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.65 -37.86 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.3 ttp -142.84 148.56 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.3 t -135.68 120.54 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.31 32.27 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.26 -25.57 21.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 20.3 t -80.17 138.79 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 m -73.75 137.06 43.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -113.15 29.88 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.98 23.87 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -178.8 37.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.801 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.7 m -141.58 156.86 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -78.3 153.59 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -53.74 -38.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -50.51 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 39.7 t80 -60.2 -35.95 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -53.26 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.579 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.4 -37.79 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.642 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.405 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 4.7 pt20 -64.42 -25.6 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -50.2 30.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.49 -30.67 66.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -64.44 -27.37 68.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -22.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -51.75 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.82 -26.01 22.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.603 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.64 34.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -177.97 61.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.74 102.28 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 139.65 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.0 mt -130.94 136.76 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.297 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.0 m -98.5 116.58 31.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.99 159.57 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.03 148.94 47.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.05 160.34 42.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.53 -57.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.0 mttm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.955 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.74 74.92 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.797 2.331 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 11.3 mt 62.83 125.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 173.41 95.71 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.24 171.13 14.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.02 162.18 18.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.07 15.88 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.8 mm -104.9 119.89 54.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.696 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -102.35 139.34 38.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 25.6 tt0 -112.93 150.29 32.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.38 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.422 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.9 tt0 -106.63 128.92 54.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 111.499 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -132.37 138.63 47.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 t -111.01 124.09 51.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.59 150.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.96 112.52 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.29 116.42 31.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -76.33 131.35 39.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -58.05 119.95 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.56 159.06 33.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.16 146.85 93.13 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.115 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.55 -31.48 8.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.22 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -165.79 -50.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 -77.44 0.25 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.529 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' CZ ' ' CD1' ' A' ' 87' ' ' ILE . 1.7 t80 -59.45 -37.15 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.19 -20.88 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.885 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 pt -139.05 172.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.64 118.15 25.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 pt -77.37 159.47 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.09 134.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.34 -147.67 19.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.11 118.94 1.93 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.443 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -31.97 67.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.997 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.22 34.93 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -88.29 165.24 29.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -51.71 -33.55 50.12 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.584 2.189 . . . . 0.0 112.236 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.11 153.92 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -127.11 135.38 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -123.56 119.66 30.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -94.72 138.83 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.09 10.16 8.34 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.906 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -179.22 -57.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.704 0.288 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.38 28.66 3.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.03 146.19 29.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.417 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 1.2 tp -71.85 143.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -125.93 158.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.015 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.1 mp -83.34 116.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.7 p -74.73 -65.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -144.08 154.91 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -130.33 150.29 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -30.06 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt 65.68 31.47 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.06 16.81 1.94 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.36 -168.38 11.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.52 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.54 -32.4 43.59 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.581 2.188 . . . . 0.0 112.308 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.18 29.05 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -57.85 -32.1 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.17 26.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -38.4 10.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.767 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mt -120.95 125.14 46.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.86 173.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -25.52 24.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -58.4 -29.28 65.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.48 -169.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -146.13 121.09 10.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 30.5 t -77.82 129.84 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.72 -7.23 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -159.92 147.07 16.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.923 0.392 . . . . 0.0 111.302 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.87 120.3 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.834 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t30 56.27 32.23 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.86 -19.49 48.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.93 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.89 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.356 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 143.05 56.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.417 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.0 mmm -117.46 29.69 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.83 12.49 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.25 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t30 178.98 48.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.754 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.44 147.85 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.27 150.63 43.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -53.32 -41.38 65.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.26 76.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.21 -38.02 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.89 64.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.5 p -71.88 -44.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.479 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -25.05 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.227 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.1 -50.11 30.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.185 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' A' ' 17' ' ' PHE . 3.7 pp -72.21 -30.71 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -63.11 -27.34 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -25.18 68.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.205 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 m -53.49 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.088 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.53 -28.14 11.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.691 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.72 30.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t30 175.88 80.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.09 112.05 23.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.003 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.31 138.79 31.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.435 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 18.3 mt -129.42 128.35 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.4 m -98.37 128.83 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -139.63 166.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 1.1 mpp_? -134.04 148.96 51.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.022 0.439 . . . . 0.0 111.252 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.93 156.03 42.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.814 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.77 -73.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 pttm . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.422 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.72 -54.51 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.478 2.119 . . . . 0.0 112.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.74 105.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 73.69 157.41 4.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 25.7 p -162.14 30.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 59.42 174.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -122.57 30.53 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.1 tp -91.66 126.95 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.007 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -96.4 134.7 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER -112.94 152.14 29.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.537 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.57 133.85 51.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.977 0.418 . . . . 0.0 111.187 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -128.16 136.77 51.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.663 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.63 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.69 151.97 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 p -116.18 114.63 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.159 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mt -106.21 115.31 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 47' ' ' PRO . 28.4 p-80 -75.89 125.99 30.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -62.73 122.94 17.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.78 142.35 35.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.49 148.39 53.08 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.489 2.126 . . . . 0.0 112.292 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.11 -59.12 4.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.602 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.425 ' CD1' HD11 ' A' ' 43' ' ' LEU . 22.2 m-85 -83.36 -77.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.31 -104.74 0.92 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.761 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -90.28 -29.71 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.993 -179.714 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.71 -22.8 29.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.381 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.35 163.86 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.13 137.11 52.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -95.48 145.7 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.23 134.01 33.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.21 -149.55 20.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 129.03 2.94 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.383 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -71.51 -27.56 63.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.63 25.42 5.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -65.19 161.65 47.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.79 -27.21 15.02 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.589 2.193 . . . . 0.0 112.46 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -145.32 124.41 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 2.0 p90 -142.37 161.61 37.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.967 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 138.04 33.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.9 m -73.09 154.58 40.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.0 -6.99 12.0 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.867 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -151.41 -55.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.693 0.282 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.2 p 54.03 36.95 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 p -133.86 150.99 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.6 mt -92.06 132.25 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.02 166.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.0 mm -76.13 118.36 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -67.16 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -140.42 153.98 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.9 m -128.01 155.19 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.276 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -83.57 -15.58 48.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.304 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 28.3 pttt 45.89 38.04 4.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.81 0.338 . . . . 0.0 111.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.75 22.73 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.405 ' N ' HD12 ' A' ' 43' ' ' LEU . . . -139.35 -149.18 5.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.422 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 57.1 Cg_endo -70.7 -28.48 20.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.176 . . . . 0.0 112.417 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -113.53 34.34 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -40.19 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.51 24.21 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.589 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -86.32 -45.37 11.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.724 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.5 mp -120.91 125.18 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 173.82 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -50.63 -30.85 14.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.89 -29.73 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.54 116.34 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -81.33 122.88 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.38 132.8 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -115.67 -43.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.7 ttm -141.84 147.47 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.3 p -141.95 132.45 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 31.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.02 -23.53 30.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.093 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 p -90.68 140.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.6 t -71.24 136.62 48.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 7.1 mmm -101.87 23.68 11.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.062 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 22.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -177.3 36.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.714 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.18 157.74 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -79.76 153.54 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -56.89 -41.57 78.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.976 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.01 -36.62 72.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.03 -38.86 69.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.74 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.9 p -72.0 -46.7 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.587 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -58.31 -30.22 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 111.035 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -50.11 30.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.2 -31.82 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.264 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -66.98 -26.47 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.81 -17.29 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -51.22 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.71 -30.43 9.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.631 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.46 33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.734 0.302 . . . . 0.0 110.972 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.53 67.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.79 102.15 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.93 139.42 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.1 mt -130.81 130.47 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.53 132.02 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.0 pp -136.96 167.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.899 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -136.41 143.15 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.345 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' ' CD ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -148.14 136.84 21.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.46 -41.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.893 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.99 118.89 5.95 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.572 2.181 . . . . 0.0 112.301 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 11.4 mt -94.07 -56.84 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -73.86 106.2 1.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 96.2 p -157.45 82.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 60.85 156.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -142.5 30.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.2 mp -104.81 134.59 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.434 ' HA ' ' HB3' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -92.81 149.15 21.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.031 0.444 . . . . 0.0 111.117 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -113.05 149.45 33.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.84 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -107.6 127.3 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.018 0.437 . . . . 0.0 111.4 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -129.15 138.61 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.625 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -104.22 122.36 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.8 148.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.2 p -113.6 112.55 23.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.987 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.3 116.51 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -80.48 126.34 31.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 138.31 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.84 148.94 70.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -51.75 143.63 37.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.42 -49.39 0.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -134.52 -70.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.84 -84.31 0.37 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.721 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.453 ' CZ ' ' CD1' ' A' ' 78' ' ' LEU . 1.7 m-85 -69.24 -34.9 75.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.66 0.7 88.18 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.614 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.31 172.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.979 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.35 118.21 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 71' ' ' HIS . 2.4 pt -80.83 155.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.34 133.8 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.03 -134.16 5.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.645 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.405 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . 117.68 99.26 2.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.249 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.6 -26.57 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.29 37.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -95.41 167.43 12.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.12 -60.03 0.9 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.557 2.171 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -124.59 129.79 51.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -146.55 161.59 40.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -123.16 146.13 48.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.22 165.39 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.39 12.45 67.35 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -179.5 38.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -24.51 62.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.56 138.59 56.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 0.8 OUTLIER -74.69 142.29 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' N ' HG13 ' A' ' 37' ' ' ILE . 16.9 t -129.54 160.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.6 mp -76.78 119.54 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.171 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -55.28 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.0 154.98 28.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.6 m -126.47 138.46 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.62 -24.73 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.987 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.74 31.46 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.81 14.61 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.725 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.48 -164.62 11.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.392 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.32 -24.65 57.52 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.571 2.181 . . . . 0.0 112.298 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.86 28.0 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.189 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.17 27.4 3.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.64 -41.57 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.3 mt -120.95 102.12 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 173.62 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -49.23 -29.16 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.71 -29.7 70.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.804 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.26 127.98 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.34 133.45 39.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.9 m -86.63 126.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.859 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.86 -30.19 7.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.393 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.9 ttp -140.58 144.74 36.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.0 p -137.57 119.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.87 32.24 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.6 4.5 79.78 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.844 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.5 t -107.59 137.63 37.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -66.34 143.11 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.42 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 6.3 mtp -118.34 26.66 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.36 24.22 10.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 179.46 43.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.719 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.56 147.14 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.326 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.49 153.82 41.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.408 ' CD2' HD11 ' A' ' 21' ' ' ILE . 6.2 t60 -49.6 -38.45 31.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.63 -37.99 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -38.34 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.85 58.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.84 -41.07 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -61.26 -27.63 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 111.112 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -72.02 -50.13 31.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.218 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.453 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 3.7 pp -72.72 -30.57 64.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.8 m -56.0 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.054 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -29.21 11.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -166.73 30.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.8 p30 176.65 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.06 110.26 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.95 136.01 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.985 0.421 . . . . 0.0 111.117 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.84 138.11 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.85 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.98 123.24 41.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.8 pp -122.83 165.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.1 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.03 145.13 43.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 0.0 111.296 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.415 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -148.26 158.72 44.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.252 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -156.24 -43.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.37 133.28 47.82 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.575 2.184 . . . . 0.0 112.246 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.48 106.57 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 88.39 -110.21 3.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.3 t -176.1 -57.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -171.11 -172.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 61.21 19.4 10.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.479 HG22 HD12 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -70.55 119.91 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.6 p90 -97.69 127.92 43.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 63.3 tt0 -114.9 141.99 47.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.348 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.476 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.0 tt0 -106.88 130.75 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.049 0.452 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -118.86 138.07 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.306 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.1 p -108.62 118.03 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.061 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -119.67 147.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.038 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 m -107.92 113.98 27.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 mt -106.25 115.4 30.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -76.85 128.56 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -59.58 128.93 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.92 151.53 44.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.55 148.58 72.95 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.245 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.62 -42.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 43' ' ' LEU . 35.8 m-85 -117.25 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.48 -88.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.713 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -98.08 -32.65 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.733 0.302 . . . . 0.0 111.179 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.2 -23.71 34.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.69 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.427 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 pp -131.2 152.93 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 122.53 47.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.29 155.91 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.83 148.3 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.54 -104.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.49 119.1 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -63.98 -28.22 69.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -116.38 30.48 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -94.22 166.25 15.89 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.03 -16.01 51.6 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.559 2.173 . . . . 0.0 112.44 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -104.38 138.32 40.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -129.09 150.85 50.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.0 143.33 30.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.96 127.08 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.98 -7.01 12.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.842 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -148.94 -52.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.775 0.321 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 p 49.54 28.38 2.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 p -120.13 170.71 9.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 3.4 tp -75.99 143.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 p -136.1 153.35 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.96 121.99 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.13 -55.18 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.74 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.87 150.55 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.72 147.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD12 ' CD2' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -74.43 -28.39 61.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.002 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt 65.13 30.18 11.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.62 16.41 2.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.675 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -168.24 11.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.518 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.74 -30.62 47.27 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -106.83 29.19 7.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -41.7 80.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.19 43.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.59 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.85 -40.0 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mt -120.92 106.71 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.94 171.84 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.77 -30.78 6.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -32.04 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.75 105.45 17.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.671 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.52 122.04 24.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.5 t -75.98 127.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.14 -25.34 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.546 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 8.6 ttm -150.3 149.01 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.9 t -141.97 120.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 t30 54.64 32.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.18 -26.17 18.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.763 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.75 128.62 38.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 143.02 58.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.402 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -121.14 27.95 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.09 12.89 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 177.66 55.32 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.68 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -131.54 153.43 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.05 153.64 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -51.19 -46.8 62.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.5 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.75 -36.18 83.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.2 -45.41 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.9 t -60.29 -50.69 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -58.93 -26.94 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.096 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.03 -50.25 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.031 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 17' ' ' PHE . 4.3 pp -72.62 -30.6 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -24.9 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -22.18 66.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.155 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.3 m -56.62 -73.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.15 -34.52 5.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.598 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 31.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 p30 179.69 74.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.22 107.17 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -92.75 138.69 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.0 mp -130.61 126.24 60.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.8 p -98.46 126.82 44.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.24 167.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -133.2 145.9 51.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.301 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.16 134.25 21.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.605 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.43 -49.66 1.08 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.003 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.857 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 81.81 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.613 2.209 . . . . 0.0 112.307 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.96 -50.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 135.99 51.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.89 -176.04 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.54 -170.82 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -117.17 -22.11 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.401 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 15.8 tt -111.93 119.94 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.75 0.31 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -109.57 151.65 26.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.257 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 16.3 pt-20 -115.43 154.24 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.406 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -107.4 127.16 53.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.135 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.415 ' CE1' ' HG3' ' A' ' 3' ' ' GLU . 24.6 m80 -130.78 138.59 49.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 t -115.66 116.97 29.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 t -118.29 150.01 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 4.5 m -102.53 119.06 38.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 mt -106.09 114.89 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.41 119.22 10.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.79 120.3 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.86 155.54 42.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.59 157.73 4.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.606 2.204 . . . . 0.0 112.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.57 2.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -150.38 -64.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 0.0 110.824 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -77.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.683 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -60.04 -37.02 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.96 -17.28 56.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.852 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.404 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 2.1 pp -138.03 171.28 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.91 148.0 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.056 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.61 149.99 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 133.97 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.14 -125.07 3.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.56 111.81 3.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.636 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -71.54 -31.12 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.58 39.05 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.61 171.04 9.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -51.63 -27.12 24.76 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.569 2.179 . . . . 0.0 112.279 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -119.54 159.48 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.25 150.17 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -152.73 141.33 20.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.5 m -106.16 137.22 44.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.23 13.08 37.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.652 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -177.37 45.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 0.0 110.751 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -92.6 43.76 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.167 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 59.7 p -117.8 138.19 52.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.667 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 0.7 OUTLIER -74.57 141.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 111.224 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.9 p -123.69 161.69 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 27.1 mm -73.77 119.16 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.074 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -66.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.66 154.99 44.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.404 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 26.7 m -132.79 150.2 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -30.05 59.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 tttt 63.61 32.06 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.7 17.18 1.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.666 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -153.57 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 -30.54 22.34 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.617 2.211 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.81 28.99 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.229 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.56 -44.72 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.78 40.01 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.577 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -111.17 -39.88 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 mt -120.66 106.39 11.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 173.64 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -30.57 47.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -32.04 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.67 118.83 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 -84.46 126.78 33.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' A' ' 89' ' ' ILE . 9.3 p -91.85 133.54 33.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.01 5.17 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.885 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -160.13 141.49 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 111.205 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.0 119.32 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.3 32.32 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.36 -25.94 22.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.688 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.8 t -78.4 145.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.224 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.2 m -77.03 143.07 39.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.456 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 5.4 mtt -116.8 27.98 8.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.09 23.21 11.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -180.0 38.76 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.45 146.66 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.69 153.7 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 55.3 p-80 -54.32 -46.35 72.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.67 90.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.4 -36.83 83.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.02 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.03 -53.08 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -29.68 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -72.03 -50.16 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.458 ' CD1' ' CD1' ' A' ' 17' ' ' PHE . 3.9 pp -72.75 -30.99 64.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 24.6 ttt-85 -66.87 -25.04 66.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -25.95 68.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.3 m -54.3 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.71 -18.76 51.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.835 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -168.68 31.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.726 0.298 . . . . 0.0 110.875 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 174.65 73.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.86 105.65 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 5.9 pttt -95.67 139.6 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CG2' ' CG2' ' A' ' 58' ' ' VAL . 3.8 mp -130.83 132.83 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.037 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.0 m -98.46 118.63 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -126.15 163.55 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.3 138.68 45.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 152.46 37.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.638 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -127.93 -51.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 tttt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.929 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.52 -28.13 26.77 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.544 2.163 . . . . 0.0 112.3 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.5 tp -135.54 -52.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -90.27 -147.1 17.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.46 118.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 61.28 -176.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 3.3 m170 62.55 34.3 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.0 mt -114.24 119.62 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -110.83 132.53 54.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.04 0.448 . . . . 0.0 111.483 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -120.59 145.21 47.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.143 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -107.54 127.3 53.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.898 0.38 . . . . 0.0 111.325 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -133.02 138.58 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.845 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 t -116.5 121.88 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.17 147.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -102.69 113.72 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mt -106.12 115.88 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -78.9 117.25 19.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -58.89 134.12 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.5 159.36 46.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.01 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -63.04 142.13 86.39 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.644 2.229 . . . . 0.0 112.248 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.07 -39.28 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CG ' HD11 ' A' ' 43' ' ' LEU . 24.4 m-85 -138.45 -71.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 -106.91 1.74 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.579 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -60.05 -37.19 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.62 -22.19 28.98 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.062 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -121.14 164.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.38 118.03 33.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 tt -80.23 131.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.81 133.98 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.58 24.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.661 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 138.4 98.42 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.381 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -71.9 -27.13 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.521 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 47.8 t0 -58.12 -30.76 66.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.595 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 0.5 OUTLIER 166.66 -49.78 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.299 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 27' ' ' ASN . 40.6 Cg_exo -36.85 -31.5 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.044 2.496 . . . . 0.0 113.695 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 140.08 31.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.915 0.388 . . . . 0.0 111.252 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -146.53 134.97 21.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -151.06 140.31 21.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.9 t -89.74 117.65 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.04 -7.04 11.94 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.81 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -58.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.732 0.301 . . . . 0.0 110.81 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.19 30.05 15.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.031 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m -104.94 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 37' ' ' ILE . 40.2 mt -83.97 148.74 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.02 164.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.4 mt -90.44 118.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.988 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -65.49 -66.83 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.95 154.28 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.8 m -120.7 134.78 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.363 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD11 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -59.89 -28.32 67.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.889 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 68.21 30.2 5.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.788 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.62 17.58 1.45 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.721 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.37 -171.76 13.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 -27.06 45.34 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.599 2.199 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -114.72 33.97 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.313 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.71 -47.24 80.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.67 32.82 2.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -105.11 -44.92 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mt -117.28 107.13 14.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.67 173.72 10.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -49.62 -31.85 11.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.45 -30.17 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.24 106.34 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.748 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -78.06 123.78 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.5 m -75.99 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.79 -35.56 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.42 150.95 38.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.97 119.28 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.01 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.43 32.34 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.4 4.51 80.49 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.82 127.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -57.11 142.44 42.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -117.87 36.9 4.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.12 27.81 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -179.93 41.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.0 m -142.91 149.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.338 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.478 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 0.5 OUTLIER -73.77 153.72 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.789 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -49.71 -44.45 48.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.41 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.426 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 8.1 t80 -61.57 -34.88 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.6 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.4 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.6 t -63.77 -47.31 91.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.391 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -24.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.061 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -50.35 29.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.158 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.7 -30.74 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.82 -26.16 61.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -63.74 -27.2 69.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -58.35 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.1 -29.5 9.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -168.81 31.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.15 72.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.24 113.3 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 139.52 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.05 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.1 mp -130.93 130.18 63.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -98.53 118.89 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.6 pp -129.44 165.05 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.295 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.0 146.82 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.3 137.85 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -130.48 -39.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.068 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.15 -30.42 16.13 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.307 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.89 -46.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -127.6 153.33 19.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.98 23.62 9.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 53.55 26.16 5.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.189 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -149.79 21.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.189 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 28.3 mm -114.19 119.64 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.303 . . . . 0.0 110.842 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.41 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -123.65 152.53 41.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.256 0.55 . . . . 0.0 111.652 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.8 mm-40 -112.61 154.22 26.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.973 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -107.21 127.26 53.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 111.495 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -122.18 138.53 54.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.6 p -114.11 115.58 27.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.7 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.52 150.14 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 9.9 t -107.96 114.28 28.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.34 113.1 26.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -76.04 124.56 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -58.19 140.98 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.31 147.94 46.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.62 146.14 45.07 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.533 2.155 . . . . 0.0 112.268 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.61 -60.31 4.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.597 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.455 ' CD1' ' CD1' ' A' ' 43' ' ' LEU . 35.7 m-85 -82.26 -69.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.43 -81.89 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.681 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.418 ' CD2' HG13 ' A' ' 19' ' ' ILE . 3.4 t80 -93.85 -37.17 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.21 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.82 -26.29 17.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.649 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.418 HG13 ' CD2' ' A' ' 17' ' ' PHE . 1.1 pt -133.42 172.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.22 118.02 25.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.09 145.53 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.35 141.91 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.32 -157.59 24.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.43 98.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -40.09 70.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.88 34.0 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -98.58 166.27 13.54 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.22 -23.3 22.59 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.604 2.203 . . . . 0.0 112.384 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -104.42 151.2 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -126.52 146.99 49.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -144.95 117.49 8.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -92.09 116.82 29.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.99 12.53 6.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -145.12 -73.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.976 0.417 . . . . 0.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.0 p 49.4 30.38 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.227 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p -139.59 153.14 47.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.05 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 mm -82.89 137.41 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.0 p -133.93 158.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.4 mm -75.8 118.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -66.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.81 154.96 51.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.03 144.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.349 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.39 -27.24 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 63.05 32.69 15.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' CE2' ' A' ' 15' ' ' PHE . . . -144.04 14.8 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.726 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.05 -166.72 11.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.353 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -55.76 -32.39 84.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 0.0 112.304 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -101.96 26.85 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.366 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -42.7 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.22 33.11 1.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -105.92 -35.19 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -120.06 117.05 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.36 173.76 11.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.91 -31.93 19.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.25 -30.88 71.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.692 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.402 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 2.3 m-20 -97.9 103.33 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.735 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 121.24 22.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.1 t -77.47 126.79 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.87 -26.78 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.409 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 ttm -147.9 153.71 39.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -142.0 119.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.04 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.34 32.27 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -26.18 20.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.642 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -85.7 127.39 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.99 139.52 54.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.1 mtt -110.84 29.7 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -120.79 26.39 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.42 38.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.39 144.01 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.272 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -70.84 153.84 42.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -45.62 -51.49 12.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.672 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.09 -50.65 68.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.493 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -60.23 -33.7 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.24 -38.22 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.438 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -71.95 -44.5 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.513 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -25.24 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.085 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -71.96 -50.27 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 3.6 pp -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -24.82 65.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.0 m -56.72 -81.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.922 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.52 -28.92 9.02 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.779 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.95 29.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.21 80.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.79 111.14 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 2.1 pttp -94.76 139.52 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.672 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.6 mm -128.46 134.87 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.225 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.5 m -98.31 114.86 27.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.357 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 56' ' ' ASP . 2.7 pp -124.48 164.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.246 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.06 148.76 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.254 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.09 160.19 40.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.817 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.41 ' HB3' ' HB3' ' A' ' 2' ' ' TRP . 12.0 pttt -148.67 -47.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 tttm . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.924 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.98 -37.86 68.32 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.536 2.157 . . . . 0.0 112.258 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -162.02 143.25 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -114.63 -179.89 18.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.444 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.93 177.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -168.82 126.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -143.27 25.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.1 mm -89.29 119.87 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 92' ' ' LYS . 21.5 p-90 -99.77 141.86 32.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 17.1 mt-10 -117.67 153.94 32.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.575 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -107.74 133.1 52.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.05 138.19 46.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.002 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 58.0 p -112.22 125.79 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.765 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.25 150.9 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.77 115.19 29.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.819 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.06 114.07 27.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 129.87 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -59.91 124.05 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.86 159.15 33.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.046 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 151.08 86.82 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.542 2.161 . . . . 0.0 112.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.54 -45.87 2.0 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.376 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CD1' HD13 ' A' ' 43' ' ' LEU . 34.4 m-85 -133.76 -69.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.671 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.51 -87.76 0.43 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.907 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 78' ' ' LEU . 5.2 m-85 -61.79 -37.08 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.03 -23.7 25.24 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.694 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 1.0 OUTLIER -133.08 172.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.91 124.05 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 pp -77.86 156.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.142 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.37 141.92 35.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.64 -156.19 20.91 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 144.36 109.75 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -71.54 -27.87 63.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.247 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.5 t0 -100.74 31.4 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.01 163.16 59.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.738 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.45 -26.05 11.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.465 2.11 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -117.6 159.62 22.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.776 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -126.55 135.19 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -140.75 129.76 23.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -99.42 130.15 45.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.17 -7.09 32.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.858 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -153.12 38.56 0.5 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.1 t -84.24 2.4 40.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.456 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 t -78.4 139.6 38.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 mm -71.79 140.18 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.05 163.06 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.5 mm -78.36 110.1 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.9 t -67.41 -69.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -148.49 154.93 40.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 26.9 m -128.14 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.253 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.18 -29.77 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.874 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 65.39 31.87 10.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -149.19 19.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.598 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.63 -151.84 7.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.02 -26.18 21.96 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.576 2.184 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -114.3 34.44 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.22 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.22 -34.58 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.25 28.08 2.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -105.58 -39.6 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.9 mt -120.97 122.67 40.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.22 173.75 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.04 -33.3 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -65.92 -30.92 71.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.09 105.94 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -78.7 123.11 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.9 p -82.74 131.57 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.12 -26.19 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.35 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.5 ttm -151.07 146.46 26.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.5 t -134.49 119.57 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.5 t30 55.51 32.22 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.49 78.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.027 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -107.68 126.84 64.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 142.95 45.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.8 mmt -120.77 26.64 8.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -94.48 -13.72 25.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -162.73 64.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.78 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -135.17 148.38 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.029 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 6.0 pt-20 -77.4 146.67 36.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.027 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -46.08 -48.29 17.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.419 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -63.89 -40.32 96.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.686 179.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.14 56.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.429 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 12.7 t -57.8 -48.1 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.338 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 8.7 pt20 -59.83 -24.85 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -50.47 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -72.79 -30.67 64.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.638 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -31.66 72.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -66.4 -27.17 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -54.27 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.82 -38.64 3.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.682 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.69 32.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.975 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -179.17 71.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.47 109.97 21.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.71 138.7 31.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.2 mm -128.12 132.34 68.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.144 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.4 m -98.41 114.68 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -126.04 159.47 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.383 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.418 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.78 137.91 43.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 160.25 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -140.99 -45.64 0.39 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.053 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.11 -19.56 39.06 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.604 2.203 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 9.8 mt 63.3 124.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -149.88 36.53 0.97 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 21.4 p -67.44 110.59 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -76.35 135.75 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.416 ' CD2' ' HD3' ' A' ' 92' ' ' LYS . 1.3 t60 -137.07 43.71 2.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.418 HG22 HD12 ' A' ' 1' ' ' ILE . 21.8 pt -100.76 125.12 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -115.86 152.08 34.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.676 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.9 mm-40 -126.62 150.84 48.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.525 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.489 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 50.2 tt0 -106.6 126.87 52.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.479 . . . . 0.0 111.448 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -133.39 139.16 46.62 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.954 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.49 115.33 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.026 179.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.85 140.63 40.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.335 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 1.7 m -95.85 111.96 23.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.05 115.9 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -76.32 125.54 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -54.93 130.46 41.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.65 159.1 43.54 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.48 151.31 83.32 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.617 2.211 . . . . 0.0 112.241 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.63 12.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.426 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CG ' HD11 ' A' ' 43' ' ' LEU . 97.2 m-85 -152.48 -60.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.57 -98.17 0.99 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.708 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CZ ' HD11 ' A' ' 78' ' ' LEU . 34.3 m-85 -59.56 -36.92 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.9 -14.74 63.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.825 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.8 pp -140.56 168.7 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 111.299 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.21 128.32 56.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.04 145.43 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.235 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 135.17 25.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.37 -151.99 19.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.76 123.19 2.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -36.55 70.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -75.54 -20.65 58.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.9 159.08 3.98 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.104 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -61.75 -14.7 37.74 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.742 2.295 . . . . 0.0 112.626 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.29 124.55 49.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.989 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -146.61 149.59 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -156.67 128.05 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.07 122.36 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.16 -7.05 40.32 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.807 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -156.22 43.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.39 35.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.65 150.12 21.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.4 HG22 HD11 ' A' ' 37' ' ' ILE . 29.0 mm -73.77 148.18 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.4 t -139.1 158.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mp -83.22 120.0 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -68.98 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.45 155.02 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.748 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -125.21 144.84 33.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 111.404 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD11 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -70.41 -30.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.21 31.69 6.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.809 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.97 16.81 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.743 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.33 -170.93 12.4 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.445 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.63 -28.92 39.11 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.588 2.192 . . . . 0.0 112.357 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.91 26.83 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.299 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -42.1 88.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.6 39.99 1.47 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.598 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.0 -42.7 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.3 mt -112.69 114.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.98 173.73 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.88 -29.07 4.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -32.06 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.703 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.08 93.52 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -66.15 126.57 29.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.4 t -80.31 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.22 -33.58 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.286 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 ttp -152.88 155.75 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.1 m -141.45 119.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 51.48 32.4 8.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.43 -26.28 22.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.582 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 t -77.97 125.11 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -61.48 139.57 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.404 ' CE ' ' CB ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -109.58 31.29 5.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.24 18.32 13.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.65 54.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -142.9 148.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.34 153.69 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -46.79 -38.41 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.564 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.85 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.0 m-85 -61.31 -33.82 74.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.404 ' CB ' ' CE ' ' A' ' 66' ' ' MET . . . -71.95 -52.98 14.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.462 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.65 -40.48 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.42 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 14.5 pt20 -66.94 -27.75 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.148 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -50.25 39.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.055 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.44 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -72.83 -30.69 64.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -67.48 -27.24 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -63.88 -23.77 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -58.58 -66.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.0 -37.1 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -168.79 31.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -179.94 72.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.79 119.9 39.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 1.7 ptmt -96.15 135.5 37.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.8 mt -130.71 132.86 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.2 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.54 118.55 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.203 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.26 162.62 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.609 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.676 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.79 143.94 51.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.399 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.16 160.25 43.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.044 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.416 ' HD3' ' CD2' ' A' ' -1' ' ' HIS . 0.7 OUTLIER -123.84 -47.22 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.74 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.037 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.23 -27.98 32.29 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.604 2.202 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.61 153.57 20.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 151.34 -121.6 1.24 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.2 p -86.68 83.99 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.52 86.25 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 27.44 9.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 1' ' ' ILE . 34.4 pt -91.53 131.48 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.982 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.447 ' CG ' ' HG2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -92.96 140.81 29.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.547 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 3.9 tt0 -112.85 135.16 53.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.306 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.446 ' HB2' ' HG2' ' A' ' 90' ' ' ARG . 1.6 tt0 -106.55 132.39 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.159 0.504 . . . . 0.0 111.621 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -132.99 138.55 46.88 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.48 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 122.76 48.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 142.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.58 116.42 31.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.56 109.54 21.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.747 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -65.93 110.7 2.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.71 120.63 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.6 158.63 34.97 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.09 147.12 42.39 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.97 -28.25 13.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.555 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' HD13 ' A' ' 43' ' ' LEU . 74.1 m-85 -135.17 -61.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.07 -95.52 1.12 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CE2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.11 -36.69 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.933 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.9 -1.21 87.95 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.976 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 pt -126.8 156.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 111.334 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.45 118.14 27.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 71' ' ' HIS . 2.2 pp -76.51 151.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.69 133.85 29.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.38 -145.25 15.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.418 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 112.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -71.64 -27.48 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 111.21 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -98.97 40.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.047 -179.821 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -91.8 143.08 27.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.34 -26.75 28.59 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.415 2.077 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.61 159.53 17.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -126.49 145.48 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.78 146.05 40.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.971 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -99.29 128.08 45.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.66 13.0 55.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.656 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -163.72 46.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 110.624 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -91.24 31.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.241 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.8 p -129.86 -172.04 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.579 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 4.7 mp -115.73 113.95 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.31 166.15 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.6 mm -75.72 119.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -47.15 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -152.27 154.86 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 36.0 m -132.41 134.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.251 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -56.87 -26.38 58.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 68.52 30.25 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.92 14.3 2.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.673 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.4 -175.04 14.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.37 -25.87 25.89 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.629 2.22 . . . . 0.0 112.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.72 33.18 5.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.255 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -55.2 -41.25 71.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.14 28.36 2.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -98.93 -37.63 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 mt -118.62 127.91 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.0 173.68 11.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.9 -30.02 44.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.6 -31.56 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.41 113.8 25.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 118.35 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.2 t -82.02 128.71 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.5 -32.14 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.313 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.2 ttm -145.64 147.9 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 111.244 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 60.9 t -140.19 119.31 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t30 53.64 31.85 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.361 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.77 -26.25 24.81 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.381 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 61' ' ' VAL . 12.0 p -86.23 145.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 117.008 0.404 . . . . 0.0 111.542 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -76.44 143.06 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.2 mmt -108.95 28.73 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.72 21.73 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -179.34 38.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.7 m -128.53 147.88 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.11 153.63 39.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.417 ' CD2' HD13 ' A' ' 21' ' ' ILE . 12.9 t60 -49.84 -55.15 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.45 92.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -36.7 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.31 -46.65 48.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -58.28 -42.47 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.279 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.02 -27.99 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -69.73 -50.16 46.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.796 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD1' ' CE2' ' A' ' 17' ' ' PHE . 3.5 pp -72.67 -31.2 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.771 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -67.61 -24.87 65.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -23.91 67.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.226 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.1 m -57.48 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.713 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.95 -28.7 10.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.662 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -167.19 32.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.81 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.13 76.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.28 113.59 26.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 pttt -95.7 139.51 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.6 mm -124.83 129.35 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.256 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.52 121.8 40.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -134.18 159.68 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -135.91 139.68 43.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.43 . . . . 0.0 111.5 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.23 147.3 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.447 ' HG2' ' CG ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -143.47 -40.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.301 179.599 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.186 -0.911 . . . . 0.0 111.076 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.42 131.19 19.82 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.625 2.217 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 2.1 mt 60.55 32.15 20.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -154.78 -169.64 19.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 66.9 m -83.1 155.61 23.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.11 -172.4 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 61.36 53.36 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 27.0 mm -86.98 125.74 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.6 p90 -118.6 150.81 39.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.418 . . . . 0.0 111.209 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -112.96 154.19 26.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.475 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -107.4 127.15 53.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 111.01 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -126.39 138.52 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.3 p -114.74 120.7 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.74 152.75 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.22 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.9 p -111.07 116.07 30.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.2 mt -106.07 115.84 30.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.036 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -77.21 120.27 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -58.76 121.68 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.43 159.21 36.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.14 142.14 94.37 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.612 2.208 . . . . 0.0 112.145 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.56 -28.94 11.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.389 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' HD11 ' A' ' 43' ' ' LEU . 2.4 m-85 -160.26 -75.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.328 . . . . 0.0 110.81 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.16 -84.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.702 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' CZ ' HG12 ' A' ' 87' ' ' ILE . 1.2 t80 -59.69 -36.83 77.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.65 -22.46 35.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.709 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.421 HD11 ' CD2' ' A' ' 17' ' ' PHE . 2.3 pp -139.33 172.51 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.78 119.17 27.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.413 HD13 ' CD2' ' A' ' 71' ' ' HIS . 1.6 pt -77.75 166.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 134.02 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 151.52 -137.22 5.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.55 107.52 1.43 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -21.47 66.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.187 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.23 28.84 3.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -79.64 144.91 61.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -50.66 -25.77 15.69 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.475 2.116 . . . . 0.0 112.318 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -127.42 126.76 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 4.2 p90 -131.76 159.79 37.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.79 143.72 30.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -80.57 130.66 35.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.82 13.08 28.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.76 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -173.91 44.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 p -96.54 34.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.011 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 p -114.69 150.07 35.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.767 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 66' ' ' MET . 1.6 tp -71.71 145.87 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.36 159.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.771 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -77.72 121.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 0.0 111.298 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.05 -61.26 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -147.72 154.48 40.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.6 m -128.72 155.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -82.89 -31.18 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.7 mttm 63.29 33.39 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.8 15.07 2.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.709 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.63 -157.0 8.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.4 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.21 -25.54 36.88 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.53 2.154 . . . . 0.0 112.406 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.37 28.69 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -37.29 86.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.66 41.94 1.05 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.539 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -40.38 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.6 mp -118.44 125.77 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -149.0 173.59 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -32.71 3.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -41.29 96.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.78 87.61 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.18 132.03 52.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 23.8 t -82.07 139.03 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -125.26 -42.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -143.49 153.83 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.173 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.01 123.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.22 32.28 7.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.95 -26.36 19.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.649 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.67 122.42 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -67.02 135.95 54.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.423 ' HB3' ' CG2' ' A' ' 37' ' ' ILE . 7.3 mtt -111.33 37.31 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.18 14.31 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.04 36.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.742 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.1 m -131.64 147.56 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 153.59 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.413 ' CD2' HD13 ' A' ' 21' ' ' ILE . 38.2 t-80 -51.97 -48.99 64.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.17 88.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.93 -37.61 82.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.741 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.44 -38.2 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 t -67.33 -38.15 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.499 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -66.94 -28.59 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -72.13 -50.08 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.38 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 1.7 pp -67.84 -46.25 72.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.257 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -66.33 -24.88 66.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -63.76 -24.7 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.074 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 m -54.41 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.56 -38.19 3.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.659 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 31.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -177.5 70.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.4 112.62 25.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.022 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.18 139.47 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.424 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 3.5 mp -128.28 131.71 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.313 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.8 m -98.61 118.7 35.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.6 pp -130.63 162.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.38 146.01 46.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.835 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.01 138.22 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.41 -36.79 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.841 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.92 79.98 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.553 2.168 . . . . 0.0 112.237 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -56.79 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 58.71 106.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.8 t -155.92 -45.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 111.053 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -144.94 -161.05 1.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.743 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 75.74 78.6 0.1 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.4 mm -109.77 123.21 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.717 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -96.8 130.23 44.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.253 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.5 tt0 -118.6 154.27 32.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.278 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.538 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 41.2 tt0 -106.62 134.55 49.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.094 0.473 . . . . 0.0 111.443 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -133.02 138.79 46.92 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.44 119.15 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.24 152.52 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 9.7 t -110.9 114.02 27.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mt -106.09 115.68 30.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -77.51 120.4 22.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -57.92 130.68 47.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.65 147.42 38.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.32 157.01 9.66 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.501 2.134 . . . . 0.0 112.28 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.61 -52.19 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.556 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 58.2 m-85 -111.79 -73.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.25 -101.2 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.695 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -64.09 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.5 -19.9 47.7 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.768 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 1.5 pt -138.77 172.71 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.335 . . . . 0.0 111.158 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.44 118.12 29.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.99 157.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.98 133.82 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.21 -144.45 10.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.42 89.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.62 -34.05 69.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.706 0.288 . . . . 0.0 111.39 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -93.96 39.19 1.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.276 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.54 156.91 38.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.752 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.79 47.45 2.57 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.742 2.295 . . . . 0.0 112.603 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.15 159.04 44.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.747 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.27 135.0 47.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.97 124.53 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.93 128.1 35.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.06 -7.05 32.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.965 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -152.19 33.17 0.52 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.736 0.303 . . . . 0.0 110.98 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -31.41 68.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p -90.27 179.51 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.404 ' N ' ' CD1' ' A' ' 37' ' ' ILE . 2.5 mp -88.4 113.9 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.68 166.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 mp -84.67 115.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -70.64 -61.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.12 154.87 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.408 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 28.2 m -123.53 148.98 27.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' CD1' ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -75.05 -29.17 60.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.008 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt 65.19 31.24 10.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.49 16.55 2.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.711 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.18 -171.06 12.46 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.78 -30.09 45.35 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.543 2.162 . . . . 0.0 112.4 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.44 32.12 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -31.85 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.68 27.07 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.572 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.23 -43.63 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.2 mt -118.6 121.01 39.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.47 173.68 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -51.23 -29.95 15.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -67.61 -29.91 69.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -100.97 116.25 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 134.93 35.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.4 t -91.35 131.73 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.993 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -111.01 -30.19 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -156.2 153.63 29.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.6 p -141.82 119.34 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.33 32.44 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.17 82.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.874 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.1 t -100.98 126.61 54.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.07 131.71 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.9 mmt -104.72 25.18 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.099 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -124.76 21.44 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 15.0 p30 176.11 52.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.3 m -142.82 144.97 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.289 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 153.69 42.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.17 -38.34 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.718 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.87 -36.38 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.35 -37.51 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.38 -40.25 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.205 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.98 -46.51 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.585 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -59.94 -33.46 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -50.02 31.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.81 -30.52 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -24.9 63.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.223 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -63.87 -17.2 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.303 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.7 m -52.14 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.758 0.313 . . . . 0.0 111.096 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.18 -40.51 2.52 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 31.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -177.98 70.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.65 109.0 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 2.8 ptmt -94.36 133.49 37.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.757 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mp -130.8 137.19 56.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.325 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.4 120.72 39.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.249 179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.5 pp -133.48 168.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.39 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -132.45 138.3 47.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.03 157.32 43.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.709 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -129.23 -43.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.8 tttt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.841 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.129 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.33 149.2 23.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.574 2.183 . . . . 0.0 112.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.15 122.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -64.83 140.52 42.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 70.6 m -140.6 141.61 35.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 111.015 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.69 118.32 31.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -110.32 47.04 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.7 pt -100.28 123.95 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.764 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.5 p90 -109.88 143.45 39.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.077 0.465 . . . . 0.0 111.316 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' HG2' ' CE1' ' A' ' 5' ' ' HIS . 25.2 tt0 -113.63 154.67 26.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.358 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -107.0 127.13 53.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.411 ' CE1' ' HG2' ' A' ' 3' ' ' GLU . 76.3 m80 -129.23 139.18 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.053 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.71 122.26 44.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.89 153.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.55 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.1 t -122.68 112.46 17.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mt -105.93 116.71 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -76.38 104.51 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 38.4 mtp180 -47.78 116.59 1.53 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.65 155.75 41.68 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.54 148.67 14.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.665 2.243 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 15' ' ' PHE . . . 94.44 -44.83 2.24 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.552 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 15.8 m-85 -168.22 73.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.309 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -39.83 -54.59 2.92 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.421 ' CD2' HD12 ' A' ' 19' ' ' ILE . 5.9 t80 -70.15 -37.44 75.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.787 0.327 . . . . 0.0 111.057 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.407 ' C ' HG13 ' A' ' 19' ' ' ILE . . . 66.97 5.72 34.19 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.265 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.421 HD12 ' CD2' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -136.49 165.05 29.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 117.111 0.455 . . . . 0.0 110.959 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.52 118.0 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.66 136.54 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.495 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.48 133.91 37.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.71 -98.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.78 110.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.559 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -30.73 71.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.988 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -110.34 33.1 4.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.94 157.22 79.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.32 -26.47 27.51 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.498 2.132 . . . . 0.0 112.37 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -105.1 159.5 15.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.84 147.69 50.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.719 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -150.57 146.0 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 m -112.13 143.16 43.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.02 13.0 75.62 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.752 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -167.54 35.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.36 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -30.33 62.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -60.92 166.29 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 37' ' ' ILE . 3.9 mp -87.16 149.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.9 t -142.2 162.05 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 mp -81.44 122.19 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -79.39 -51.25 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.14 152.51 7.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.9 m -116.17 136.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.327 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -21.22 59.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt 62.36 30.15 17.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.757 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.03 16.68 1.74 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.665 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.9 -154.94 8.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.378 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.11 -26.51 18.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.48 2.12 . . . . 0.0 112.38 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.09 26.16 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.388 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -51.67 -33.55 34.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.67 53.19 0.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -133.98 -49.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.66 124.51 49.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.7 173.72 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -54.2 -33.6 58.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -58.57 -30.3 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.91 119.45 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -83.65 136.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.87 138.93 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.81 -50.07 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.4 ttm -139.08 149.25 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.6 t -135.46 119.36 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.25 32.38 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -26.23 20.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.6 t -77.24 139.34 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.039 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.88 138.15 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.0 mmm -110.13 35.75 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -105.23 -9.96 17.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.542 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -167.77 68.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.398 . . . . 0.0 111.2 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.406 ' CG2' HD13 ' A' ' 37' ' ' ILE . 27.0 m -142.93 142.25 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 8.3 pt-20 -73.8 147.86 43.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.824 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -43.31 -49.21 6.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.669 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.85 -43.74 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.355 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -68.92 -35.37 76.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.93 -39.89 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.89 -39.54 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.328 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 6.3 pt20 -68.2 -37.06 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -60.61 -50.14 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.417 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 4.3 pp -72.34 -31.24 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.84 -25.93 68.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -63.87 -26.7 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -54.66 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.11 -30.35 8.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.582 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.19 32.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 179.26 72.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.37 109.16 21.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -95.0 137.08 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 111.249 -179.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.79 138.05 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.881 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.3 115.81 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.35 155.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.287 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 147.3 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -148.14 156.37 42.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -129.45 -42.88 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.067 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.17 -179.4 3.07 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.57 2.18 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -116.24 92.26 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -132.07 67.36 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.547 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 3.8 p -91.71 -35.55 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 110.827 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -169.33 148.13 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.415 ' CD2' ' HE2' ' A' ' 92' ' ' LYS . 32.6 m170 60.22 66.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.794 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.6 mt -71.2 123.06 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.435 ' CD1' ' HG2' ' A' ' 92' ' ' LYS . 24.6 m-90 -97.93 140.93 31.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 7.4 mt-10 -112.94 132.97 55.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.019 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.513 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 16.6 tt0 -106.63 129.25 54.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.16 0.505 . . . . 0.0 111.727 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -132.41 138.69 47.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.783 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -104.57 127.01 52.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.68 153.14 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 t -108.98 114.59 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mt -106.1 111.65 24.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -58.33 147.99 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.68 159.13 67.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -64.45 146.74 90.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.53 2.154 . . . . 0.0 112.3 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.56 -47.56 1.9 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -71.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.686 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.95 -94.37 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.62 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -37.22 77.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.082 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.55 -8.42 54.56 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.279 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 42' ' ' VAL . 1.1 pt -140.46 166.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.997 0.399 . . . . 0.0 111.198 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 118.29 34.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mp -81.35 135.69 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.24 146.02 51.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.35 -146.42 17.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.0 116.88 2.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -29.3 64.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.32 34.0 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 163.28 64.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.774 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -26.78 51.28 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.535 2.157 . . . . 0.0 112.297 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -108.13 157.24 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.51 136.55 52.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -143.56 146.07 33.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 p -100.52 121.88 42.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.53 13.11 27.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.732 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -156.57 29.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.74 0.305 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.0 p -71.37 -19.08 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 p -76.51 161.8 28.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.945 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 25.8 mt -89.34 143.89 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.79 158.44 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.2 mm -78.51 122.06 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.39 154.89 42.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.417 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 34.6 m -129.95 135.64 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -26.9 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.997 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tptt 67.32 29.18 7.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.96 13.88 2.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.682 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -121.7 -164.2 12.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.41 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.34 -27.47 85.08 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.634 2.223 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.94 36.43 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.48 -39.16 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.78 35.44 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.446 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -108.47 -37.97 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.2 mt -120.86 131.71 54.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.73 173.81 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.57 -30.24 29.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -28.03 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.82 116.64 29.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -84.09 114.21 21.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.198 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 31.1 t -75.99 130.97 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.62 -15.36 7.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttm -159.02 144.1 15.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.945 0.402 . . . . 0.0 111.517 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.5 t -140.27 120.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.587 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 58.68 32.29 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.77 -17.12 56.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.881 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.3 t -88.1 135.85 24.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -65.36 143.02 58.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.8 mmt -121.73 27.48 8.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -114.04 21.81 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.78 39.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.0 m -129.71 158.03 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.61 153.52 40.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -54.47 -50.03 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.13 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.52 -39.28 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.278 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.04 -38.99 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.45 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -66.29 -28.0 68.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.71 -50.34 58.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.78 -31.36 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ttt-85 -65.48 -28.66 69.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -27.27 69.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.7 m -59.08 -72.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.81 -28.71 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.535 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -166.47 31.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m120 178.97 72.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.49 110.76 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 134.9 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.416 HG22 HD13 ' A' ' 87' ' ' ILE . 40.8 mt -130.85 127.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -98.47 133.44 42.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.7 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 pp -139.15 166.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.557 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -136.3 137.79 41.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 111.43 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.41 138.06 24.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -124.09 -37.49 2.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.118 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 -168.03 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.577 2.185 . . . . 0.0 112.297 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.07 30.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 58.06 104.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.69 -45.21 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -132.28 149.12 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -158.39 28.13 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.1 mt -103.36 128.06 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.967 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.5 p90 -109.99 143.23 40.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.597 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -112.98 144.04 43.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.901 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.568 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 13.8 tt0 -106.95 133.58 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.16 0.505 . . . . 0.0 111.651 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -133.07 139.0 46.92 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.65 119.03 38.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.67 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.32 139.23 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -95.27 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.3 mt -106.03 115.21 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -75.58 117.09 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -59.23 128.76 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.93 159.15 48.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.95 142.61 82.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.633 2.222 . . . . 0.0 112.28 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.49 -28.5 15.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' CG ' ' CD1' ' A' ' 43' ' ' LEU . 66.7 m-85 -144.47 -69.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.33 -101.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.732 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -59.44 -37.19 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.72 0.295 . . . . 0.0 111.088 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 87.45 -19.18 33.49 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.098 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -130.87 172.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.82 131.66 47.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.7 mm -79.59 141.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.77 134.01 27.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.37 -135.42 9.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.46 135.92 4.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -71.54 -27.04 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 111.104 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -100.58 24.47 8.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.8 171.21 9.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.57 7.29 4.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.699 2.266 . . . . 0.0 112.998 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -104.29 158.18 16.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.775 0.321 . . . . 0.0 110.794 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.59 140.58 52.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -147.52 117.52 7.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.716 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 t -104.09 124.96 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.17 1.99 12.48 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.851 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.1 -55.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.749 0.309 . . . . 0.0 110.837 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 55.22 41.12 31.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 p -98.54 171.62 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.5 mm -83.35 155.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.196 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -128.6 166.09 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.137 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 mm -87.13 117.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.29 154.88 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.8 m -122.13 143.64 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' CD1' ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -67.37 -26.82 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.975 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.33 30.65 6.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.44 18.97 1.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.726 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.94 -168.38 11.3 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -51.56 -28.0 27.21 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.54 2.16 . . . . 0.0 112.328 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.11 33.96 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.54 -48.67 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.04 33.36 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.588 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.31 -43.7 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 mt -120.79 114.21 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.7 173.79 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.31 -30.65 7.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.45 -31.1 71.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -100.05 115.81 30.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.657 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -81.16 120.62 25.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.8 p -79.34 130.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.78 -26.54 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -149.74 149.45 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.965 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.3 t -141.83 119.39 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 58.42 32.36 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 4.38 85.54 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.66 127.94 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.797 0.332 . . . . 0.0 111.06 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.95 143.03 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 23.8 mmt -114.54 30.19 7.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.23 16.98 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -178.96 37.84 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.789 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.88 153.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.42 148.94 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 72' ' ' ALA . 9.6 p-80 -51.85 -38.32 55.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 71' ' ' HIS . . . -65.03 -40.56 95.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -67.73 -35.96 79.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.809 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.36 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.358 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.29 -42.89 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.352 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -60.51 -29.91 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.12 -50.16 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 pp -68.15 -30.69 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.996 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -64.14 -28.65 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -68.01 -22.05 65.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -50.86 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.51 7.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -172.7 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -178.77 64.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.49 108.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -93.78 137.82 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.093 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.98 129.82 63.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.106 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.46 130.37 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -143.1 166.88 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.441 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -129.87 140.88 50.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.94 141.01 24.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.759 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.74 -42.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.8 tttt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.886 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.54 -20.39 35.93 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.565 2.176 . . . . 0.0 112.384 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.28 142.13 37.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.971 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -154.98 -66.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.244 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.33 176.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.876 0.369 . . . . 0.0 111.196 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' -1' ' ' HIS . 0.8 OUTLIER -63.28 -146.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.666 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' -2' ' ' ASP . 47.4 m80 65.53 36.99 6.27 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.889 0.376 . . . . 0.0 111.045 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.8 mm -111.86 119.98 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.706 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -101.83 151.7 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.268 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 26.2 mm-40 -122.2 150.41 42.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.283 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.496 ' HB2' ' HG2' ' A' ' 90' ' ' ARG . 7.1 tt0 -106.89 126.9 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.012 0.434 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -129.87 138.77 51.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.649 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -108.2 115.11 29.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -113.24 150.26 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 7.1 m -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.8 mt -106.29 116.64 32.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -65.09 116.19 6.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -58.2 145.64 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.972 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.08 136.72 28.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 159.96 6.6 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.451 2.101 . . . . 0.0 112.188 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.93 -54.37 4.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' HD23 ' A' ' 43' ' ' LEU . 41.1 m-85 -104.59 -70.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.827 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.76 -96.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.575 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CE1' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -98.14 -26.99 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.677 0.275 . . . . 0.0 110.952 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.69 -20.08 15.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.645 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.7 pt -127.97 172.53 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 118.19 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 tt -72.91 133.29 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.429 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.57 133.88 42.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.93 -166.4 25.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.88 114.7 0.94 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -35.16 70.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 111.134 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -103.24 40.32 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.05 163.63 18.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.87 -11.82 33.33 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.603 2.202 . . . . 0.0 112.593 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -104.43 159.47 15.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -126.41 144.54 50.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -139.17 133.91 32.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.17 130.13 56.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.98 -6.98 12.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.839 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -156.77 -54.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.775 0.322 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 p 53.19 34.6 17.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 p -128.12 -174.61 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 33.4 mt -103.49 138.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 p -142.04 161.28 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.9 mp -74.33 123.61 30.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.976 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -46.57 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.53 154.93 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.1 m -130.39 151.4 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.258 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD23 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -77.41 -29.22 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 64.49 33.16 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.58 16.62 1.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.723 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.73 -156.09 8.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.37 -30.91 29.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.539 2.159 . . . . 0.0 112.156 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.78 28.93 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.01 -39.41 78.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.2 32.19 2.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -109.31 -38.0 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.7 mt -120.94 123.85 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -146.68 173.64 12.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.25 -35.19 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.71 70.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.67 107.7 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.81 134.89 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.2 t -87.12 132.56 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.86 -35.04 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.362 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.4 ttm -152.95 147.41 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.7 m -136.97 125.52 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 t30 51.49 31.87 8.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.434 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.67 -26.29 22.66 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.403 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 11.8 p -85.55 145.12 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.455 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -73.75 142.96 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.9 mmm -117.17 25.21 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.0 24.92 9.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 178.88 42.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.36 153.08 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.28 153.68 33.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -52.97 -38.64 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.77 -35.35 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.09 57.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.483 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 p -66.16 -42.7 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.498 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.99 -35.03 75.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.965 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -70.14 -50.09 43.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.45 ' CD1' ' CE1' ' A' ' 17' ' ' PHE . 4.4 pp -69.65 -30.67 68.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -69.1 -25.09 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.033 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -23.37 67.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -54.33 -79.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.051 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.71 -29.75 8.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.89 31.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 178.32 79.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.392 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.81 110.62 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.82 132.35 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.2 mt -124.05 131.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.154 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.47 120.46 38.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -132.04 164.59 34.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.349 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.3 OUTLIER -135.21 148.92 49.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -147.52 158.3 43.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.768 179.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.95 -50.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.38 -26.31 20.8 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.565 2.177 . . . . 0.0 112.302 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.89 99.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 164.68 49.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.551 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -147.03 119.95 8.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.97 -24.58 23.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.059 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -1.08 38.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.499 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.53 133.0 32.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.49 144.39 31.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.811 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.3 tt0 -112.93 154.18 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.585 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.541 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 50.8 tt0 -106.36 127.4 53.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.109 0.481 . . . . 0.0 111.279 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -131.58 139.01 49.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.28 124.78 49.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.797 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.59 142.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.66 116.08 30.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mt -106.06 115.49 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -73.69 122.59 22.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -63.66 144.38 57.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.96 142.84 34.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 146.51 60.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.457 2.104 . . . . 0.0 112.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.16 -61.28 4.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.626 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.38 -70.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.22 -109.23 1.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -80.68 -27.57 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.915 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.9 -20.56 41.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.077 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.1 pt -119.28 172.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.44 118.18 22.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 pp -77.81 152.03 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.84 134.03 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.76 -140.01 8.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.96 122.65 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -28.14 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -98.69 30.2 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -87.32 149.73 47.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.32 -22.91 21.93 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.6 2.2 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.2 m170 -104.37 146.21 29.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.963 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -143.96 139.31 29.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.778 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -147.24 137.68 23.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.34 123.71 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.47 13.09 36.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.709 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -168.18 44.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 110.716 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -95.66 37.93 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.045 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.1 p -122.36 159.67 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.98 147.57 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.041 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 p -141.27 159.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 mp -75.0 113.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -72.34 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.16 154.53 37.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.64 136.29 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.26 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.51 -24.63 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.996 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 31.95 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.776 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.3 17.2 1.32 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.748 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.08 -155.39 9.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 -27.11 22.87 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.172 . . . . 0.0 112.365 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.76 35.32 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.192 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -57.29 -37.83 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.09 31.54 2.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.94 -38.9 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.8 mt -121.0 133.24 55.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -151.94 173.67 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.62 -30.43 21.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -64.58 -31.67 72.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -95.53 113.81 25.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.694 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -82.96 116.68 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -75.99 123.2 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.67 -21.66 10.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.522 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.6 ttp -154.49 153.35 31.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.92 0.39 . . . . 0.0 111.073 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.5 p -142.02 119.66 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.837 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t30 53.74 32.21 14.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.68 -26.18 21.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.772 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.21 127.27 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.363 . . . . 0.0 111.323 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 m -56.86 143.03 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.96 31.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.31 26.29 7.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -178.67 38.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.6 m -134.69 154.54 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 153.64 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -54.24 -41.88 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.12 -45.81 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.402 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -60.12 -36.51 77.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.067 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -53.42 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.545 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.88 -40.88 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.472 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.402 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -67.5 -25.15 65.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.219 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -50.46 29.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.052 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -38.97 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.813 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -64.99 -24.99 67.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -63.69 -22.16 66.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.093 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.8 m -54.3 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.6 -33.89 6.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -165.1 31.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -179.41 69.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.92 108.1 19.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.15 136.39 36.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.3 mt -130.21 131.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.44 123.93 42.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.04 159.68 38.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.455 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.622 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -121.26 133.72 55.15 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.034 0.445 . . . . 0.0 111.324 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 159.97 43.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.798 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -54.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.948 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.77 -28.02 25.71 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.596 2.198 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.98 -59.04 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 173.87 136.55 2.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.528 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 37.5 m -83.46 -74.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -176.92 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 57.24 30.08 17.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.0 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.6 tt -105.14 132.89 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' CE2' ' HG2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -98.88 137.23 37.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.617 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 59.2 tt0 -118.66 149.33 41.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.431 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.563 ' CB ' ' HG3' ' A' ' 90' ' ' ARG . 11.4 tt0 -106.28 137.49 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.256 0.55 . . . . 0.0 111.818 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -133.15 138.79 46.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.497 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.03 121.7 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.97 143.0 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -98.5 116.71 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.3 mt -106.16 114.56 28.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -74.91 116.2 15.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 118.11 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.51 159.2 33.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.38 148.13 88.02 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.566 2.178 . . . . 0.0 112.237 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.24 -34.72 5.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.385 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 43' ' ' LEU . 3.3 m-85 -156.5 -56.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.98 -89.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.659 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -59.38 -37.07 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 0.0 111.132 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.1 -22.04 28.01 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 113.056 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.422 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 1.5 pt -124.03 161.02 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 111.292 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 119.02 36.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 pt -82.1 136.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.17 133.95 53.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.8 -157.11 26.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.32 115.63 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -71.57 -35.86 70.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.61 34.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.2 161.21 49.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.12 -24.67 77.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.56 2.173 . . . . 0.0 112.164 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.56 142.14 44.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.764 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.46 134.95 50.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -138.66 133.14 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 p -88.91 132.33 34.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.1 13.13 55.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.771 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -161.58 44.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.763 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 p -88.36 10.2 20.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.476 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.0 p -94.4 139.2 31.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.0 mt -79.05 132.06 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.16 160.62 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.5 mp -76.71 110.23 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -61.3 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -156.37 154.88 31.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG1' ' CG2' ' A' ' 19' ' ' ILE . 17.9 m -122.62 138.74 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD23 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.84 28.77 10.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.797 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.69 12.49 2.93 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.719 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.34 -171.47 12.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.5 -29.4 40.02 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.538 2.159 . . . . 0.0 112.372 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.7 25.27 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.301 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.98 -43.52 91.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.65 52.84 0.72 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.561 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -130.52 -46.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -113.77 120.32 40.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -151.12 173.67 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -50.55 -29.46 10.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -27.75 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.93 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -108.04 121.49 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.78 127.12 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 18.5 t -81.81 139.1 18.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.17 -43.27 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.4 ttp -146.74 152.47 38.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.993 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 47.4 t -141.97 121.99 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 53.85 31.88 14.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.73 -25.84 25.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.386 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 64' ' ' VAL . 12.1 p -85.58 137.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.457 . . . . 0.0 111.575 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.4 p -77.19 143.2 39.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 8.7 mtt -110.45 29.16 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.46 10.89 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -179.57 46.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.665 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.9 m -134.0 152.39 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.65 153.54 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -55.54 -47.07 76.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.752 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.92 -40.05 91.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -33.73 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.7 t -69.17 -48.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -59.78 -29.68 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.04 -50.01 32.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.89 -30.69 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.66 -25.67 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -27.29 69.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 m -57.72 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.61 -29.19 10.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -173.81 35.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -177.14 64.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.07 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -92.04 139.62 30.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.978 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.79 133.4 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.46 127.98 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.8 pp -140.4 163.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.617 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -123.8 136.1 54.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 111.237 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 150.15 33.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.691 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.437 ' HG2' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -139.45 -37.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.273 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 mttp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.911 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.65 178.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.552 2.168 . . . . 0.0 112.328 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -147.17 145.5 29.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -111.95 -27.26 4.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.434 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 71.9 m 60.22 77.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -141.72 136.15 30.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 11.5 m170 62.03 28.46 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 24.1 mt -114.15 119.66 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -116.47 133.25 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.061 0.458 . . . . 0.0 111.572 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -115.6 140.5 49.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.047 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -107.36 127.61 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -132.99 138.64 46.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 t -116.53 118.03 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.703 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.66 149.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.222 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.3 m -104.24 117.94 35.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.991 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mt -106.28 115.04 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -76.68 121.52 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.2 mtp-105 -60.35 128.94 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.52 146.13 46.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.88 150.22 30.88 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.532 2.154 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.81 -51.7 3.86 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.574 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.439 ' CG ' HD11 ' A' ' 43' ' ' LEU . 79.1 m-85 -106.47 -76.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.95 -108.34 1.73 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.697 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -67.76 -35.74 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.4 -23.33 32.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.833 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.419 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 2.6 pp -130.69 156.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 111.218 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.39 132.28 55.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.442 HG22 HD11 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -91.08 162.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.93 134.05 19.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.7 -138.97 8.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 118.26 93.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.998 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -71.84 -32.08 67.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.7 0.285 . . . . 0.0 111.615 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.413 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -55.07 -25.03 28.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.996 -178.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.447 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 1.1 t30 176.22 -54.55 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.235 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 27' ' ' ASN . 38.2 Cg_exo -33.13 -61.12 0.19 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.346 2.698 . . . . 0.0 113.83 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.88 134.73 20.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 111.495 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -143.01 134.9 26.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.679 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -149.99 137.17 19.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.061 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -72.84 120.01 17.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.94 -7.1 62.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.866 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -149.76 28.83 0.76 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 76.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.781 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.8 p -155.41 -178.19 7.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.3 mm -103.26 143.76 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.1 t -141.84 159.03 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.8 mp -74.03 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.31 -54.49 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.27 154.93 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.1 m -131.11 137.37 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.289 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD11 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -61.72 -27.89 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.71 28.22 17.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.95 13.32 2.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.734 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.64 -158.09 9.52 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.41 -28.03 46.71 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 112.211 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.15 32.32 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.59 76.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.32 28.94 2.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -98.07 -39.37 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -120.9 125.21 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.24 173.74 13.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.95 -33.73 52.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -59.4 -29.65 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.02 99.95 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -64.03 140.26 58.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.7 t -88.21 130.64 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.8 -36.28 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttp -149.85 149.34 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.5 m -138.3 119.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 56.23 32.3 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.38 4.47 80.56 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.987 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.74 131.2 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.861 0.362 . . . . 0.0 111.161 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.1 142.98 53.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 10.0 mmm -123.79 37.71 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -119.85 22.75 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t30 173.91 48.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.876 0.369 . . . . 0.0 110.738 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.15 152.97 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.46 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 23.3 tt0 -68.72 153.11 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.402 ' CE1' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -57.78 -43.81 85.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -38.09 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -34.4 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.37 -45.9 52.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.1 p -66.18 -44.96 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -23.99 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -50.17 31.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.38 -32.45 66.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -72.32 -25.01 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.919 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -19.53 65.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.5 m -52.62 -67.47 0.25 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.41 -43.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.582 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -166.74 32.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.86 65.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.95 106.59 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.05 139.71 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.1 mp -129.89 131.51 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.225 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -98.64 121.21 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.1 pp -129.03 165.66 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.459 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.09 147.36 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 145.3 38.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -143.28 -38.34 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.078 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 pttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.843 -179.879 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.633 0.254 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -107.66 127.22 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.038 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -133.1 137.21 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.803 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.524 HG23 ' OG1' ' A' ' 88' ' ' THR . 6.1 m -114.47 128.07 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.75 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -128.86 148.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.688 HG23 ' HB3' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -97.47 118.92 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.08 HD13 ' HB2' ' A' ' 48' ' ' ALA . 51.2 mt -99.54 111.75 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -80.61 116.17 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 131.54 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.03 155.66 81.24 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -51.55 142.18 40.24 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.373 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.98 -40.74 2.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CG ' HD22 ' A' ' 43' ' ' LEU . 4.8 m-85 -153.85 -66.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.01 -77.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -59.51 -37.14 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 111.034 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.707 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 89.62 -23.53 19.07 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.084 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.043 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -130.24 166.77 26.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -113.38 118.13 33.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pp -65.35 147.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.342 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.01 133.91 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.59 -113.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 126.66 4.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.89 HD12 ' HG3' ' A' ' 66' ' ' MET . 50.6 mt -74.22 150.09 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 39' ' ' ILE . 14.8 t -139.13 160.96 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.6 mp -84.99 120.23 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.224 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -59.1 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -149.46 154.97 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.043 HG12 HG22 ' A' ' 19' ' ' ILE . 30.6 m -123.57 145.47 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.707 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -69.44 -28.83 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.029 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.73 30.4 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.563 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -145.74 17.5 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.61 -154.01 7.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.32 -28.91 32.75 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.538 2.158 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.08 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -108.27 31.38 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.05 -48.38 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.86 59.08 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -139.6 -46.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.767 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -110.39 116.02 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.88 173.66 14.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -51.34 -31.43 21.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.35 -28.37 68.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.663 ' HB3' HD13 ' A' ' 89' ' ' ILE . 2.1 m-20 -116.39 125.87 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -90.84 127.37 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.009 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.746 HG22 HG22 ' A' ' 89' ' ' ILE . 22.0 t -76.02 139.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.806 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -117.65 -37.86 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.3 ttp -142.84 148.56 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 87' ' ' ILE . 28.3 t -135.68 120.54 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.31 32.27 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.26 -25.57 21.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.542 HG21 ' HG2' ' A' ' 77' ' ' GLN . 20.3 t -80.17 138.79 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 m -73.75 137.06 43.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.89 ' HG3' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -113.15 29.88 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.98 23.87 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -178.8 37.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.801 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG23 HD11 ' A' ' 37' ' ' ILE . 20.7 m -141.58 156.86 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -78.3 153.59 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -53.74 -38.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -50.51 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 39.7 t80 -60.2 -35.95 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -53.26 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.579 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.4 -37.79 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.642 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 4.7 pt20 -64.42 -25.6 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.542 ' HG2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -72.02 -50.2 30.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.49 -30.67 66.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -64.44 -27.37 68.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -22.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -51.75 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.82 -26.01 22.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.603 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.64 34.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -177.97 61.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.74 102.28 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.688 ' HB3' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -95.91 139.65 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 61' ' ' VAL . 31.0 mt -130.94 136.76 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.524 ' OG1' HG23 ' A' ' 6' ' ' THR . 61.0 m -98.5 116.58 31.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.746 HG22 HG22 ' A' ' 58' ' ' VAL . 2.8 pp -124.99 159.57 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.806 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.03 148.94 47.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 25.6 tt0 . . . . . 0 C--O 1.227 -0.111 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -106.63 128.92 54.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 111.499 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -132.37 138.63 47.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 t -111.01 124.09 51.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.59 150.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.96 112.52 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.456 HD13 HD12 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -106.29 116.42 31.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -76.33 131.35 39.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -58.05 119.95 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.56 159.06 33.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -59.16 146.85 93.13 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.115 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.55 -31.48 8.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.22 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CG ' HD22 ' A' ' 43' ' ' LEU . 2.1 t80 -165.79 -50.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 -77.44 0.25 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.529 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.789 ' CZ ' HD22 ' A' ' 78' ' ' LEU . 1.7 t80 -59.45 -37.15 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.629 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.19 -20.88 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.746 HG22 ' CG1' ' A' ' 42' ' ' VAL . 1.2 pt -139.05 172.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.64 118.15 25.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 pt -77.37 159.47 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.09 134.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.34 -147.67 19.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.11 118.94 1.93 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.443 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.997 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.911 0.386 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.667 HG22 ' HB3' ' A' ' 66' ' ' MET . 1.2 tp -71.85 143.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.3 p -125.93 158.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.015 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.482 ' N ' HG22 ' A' ' 38' ' ' VAL . 3.1 mp -83.34 116.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.7 p -74.73 -65.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -144.08 154.91 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.746 ' CG1' HG22 ' A' ' 19' ' ' ILE . 27.0 m -130.33 150.29 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.629 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -72.6 -30.06 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt 65.68 31.47 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.06 16.81 1.94 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.36 -168.38 11.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.52 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.54 -32.4 43.59 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.581 2.188 . . . . 0.0 112.308 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.659 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -104.18 29.05 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -57.85 -32.1 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.17 26.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -38.4 10.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.767 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 87' ' ' ILE . 5.2 mt -120.95 125.14 46.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.86 173.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -25.52 24.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -58.4 -29.28 65.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.48 -169.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -146.13 121.09 10.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.73 HG22 ' CG2' ' A' ' 89' ' ' ILE . 30.5 t -77.82 129.84 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.72 -7.23 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -159.92 147.07 16.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.923 0.392 . . . . 0.0 111.302 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 61' ' ' VAL . 13.0 p -141.87 120.3 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.834 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t30 56.27 32.23 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.86 -19.49 48.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.93 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.89 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.356 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 143.05 56.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.667 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.0 mmm -117.46 29.69 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.83 12.49 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.25 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t30 178.98 48.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.754 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.44 147.85 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.27 150.63 43.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.49 ' O ' HG12 ' A' ' 75' ' ' VAL . 61.2 t60 -53.32 -41.38 65.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -69.27 -36.26 76.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.21 -38.02 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB1' ' CE ' ' A' ' 66' ' ' MET . . . -73.43 -39.89 64.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 71' ' ' HIS . 13.5 p -71.88 -44.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.479 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' HG13 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -63.77 -25.05 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.227 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -72.1 -50.11 30.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.185 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.789 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 pp -72.21 -30.71 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -63.11 -27.34 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -25.18 68.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.205 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 m -53.49 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.088 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.53 -28.14 11.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.691 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.72 30.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t30 175.88 80.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.09 112.05 23.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.003 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.31 138.79 31.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.542 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 18.3 mt -129.42 128.35 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.517 HG22 ' HG2' ' A' ' 4' ' ' GLN . 6.4 m -98.37 128.83 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.73 ' CG2' HG22 ' A' ' 58' ' ' VAL . 2.7 pp -139.63 166.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 1.1 mpp_? -134.04 148.96 51.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.022 0.439 . . . . 0.0 111.252 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.814 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.556 0.217 . . . . 0.0 110.537 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.57 133.85 51.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.977 0.418 . . . . 0.0 111.187 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -128.16 136.77 51.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.663 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.569 HG23 HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -104.63 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.69 151.97 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 p -116.18 114.63 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.159 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' ' 48' ' ' ALA . 3.8 mt -106.21 115.31 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 47' ' ' PRO . 28.4 p-80 -75.89 125.99 30.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -62.73 122.94 17.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.78 142.35 35.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.49 148.39 53.08 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.489 2.126 . . . . 0.0 112.292 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.11 -59.12 4.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.602 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 43' ' ' LEU . 22.2 m-85 -83.36 -77.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.31 -104.74 0.92 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.761 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -90.28 -29.71 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.993 -179.714 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.743 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 106.71 -22.8 29.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.381 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.848 HD13 HD12 ' A' ' 39' ' ' ILE . 2.6 pp -135.35 163.86 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -114.13 137.11 52.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.596 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -95.48 145.7 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -138.23 134.01 33.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.21 -149.55 20.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 129.03 2.94 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.383 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.111 -179.889 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.811 0.339 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 22' ' ' SER . 4.6 mt -92.06 132.25 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.02 166.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.848 HD12 HD13 ' A' ' 19' ' ' ILE . 27.0 mm -76.13 118.36 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -67.16 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -140.42 153.98 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.782 ' CG1' HG22 ' A' ' 19' ' ' ILE . 26.9 m -128.01 155.19 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.743 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -83.57 -15.58 48.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.304 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 28.3 pttt 45.89 38.04 4.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.81 0.338 . . . . 0.0 111.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.75 22.73 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -139.35 -149.18 5.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.431 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 57.1 Cg_endo -70.7 -28.48 20.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.176 . . . . 0.0 112.417 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' A' ' 19' ' ' ILE . . . -113.53 34.34 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -40.19 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.51 24.21 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.589 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -86.32 -45.37 11.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.724 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD21 ' HB ' ' A' ' 87' ' ' ILE . 3.5 mp -120.91 125.18 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 173.82 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -50.63 -30.85 14.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.89 -29.73 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.54 116.34 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -81.33 122.88 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.756 HG11 ' CE ' ' A' ' 66' ' ' MET . 21.9 t -76.38 132.8 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.609 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . . . -115.67 -43.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.7 ttm -141.84 147.47 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.765 ' O ' HG12 ' A' ' 64' ' ' VAL . 12.3 p -141.95 132.45 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 31.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.02 -23.53 30.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.093 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 61' ' ' VAL . 14.4 p -90.68 140.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.6 t -71.24 136.62 48.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.756 ' CE ' HG11 ' A' ' 58' ' ' VAL . 7.1 mmm -101.87 23.68 11.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 22.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -177.3 36.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.714 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.18 157.74 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -79.76 153.54 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.597 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.3 p80 -56.89 -41.57 78.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -71.01 -36.62 72.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.03 -38.86 69.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.74 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 71' ' ' HIS . 14.9 p -72.0 -46.7 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.587 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.502 ' N ' HG13 ' A' ' 75' ' ' VAL . 1.6 pp0? -58.31 -30.22 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 111.035 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -50.11 30.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.4 pp -71.2 -31.82 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.264 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.653 ' N ' HD12 ' A' ' 78' ' ' LEU . 3.1 tmm_? -66.98 -26.47 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.81 -17.29 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -51.22 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.71 -30.43 9.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.631 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.46 33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.734 0.302 . . . . 0.0 110.972 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.53 67.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.79 102.15 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.93 139.42 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.663 HG12 HG23 ' A' ' 61' ' ' VAL . 22.1 mt -130.81 130.47 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.569 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.53 132.02 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.674 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.0 pp -136.96 167.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.899 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.609 ' CD ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -136.41 143.15 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.345 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' ' CD ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.162 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.673 ' HG2' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -107.6 127.3 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.018 0.437 . . . . 0.0 111.4 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -129.15 138.61 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.625 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -104.22 122.36 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.8 148.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 86' ' ' LYS . 47.2 p -113.6 112.55 23.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.987 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.794 HD22 ' HB2' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.3 116.51 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -80.48 126.34 31.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 138.31 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.84 148.94 70.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -51.75 143.63 37.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.42 -49.39 0.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CD2' HD22 ' A' ' 43' ' ' LEU . 81.4 m-85 -134.52 -70.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.84 -84.31 0.37 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.721 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' HD12 ' A' ' 78' ' ' LEU . 1.7 m-85 -69.24 -34.9 75.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.855 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 80.66 0.7 88.18 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.614 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.88 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.31 172.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.979 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.35 118.21 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.419 HD11 ' HB ' ' A' ' 75' ' ' VAL . 2.4 pt -80.83 155.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.34 133.8 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.03 -134.16 5.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.645 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.68 99.26 2.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.249 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.863 0.363 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.78 HG22 ' HB3' ' A' ' 66' ' ' MET . 0.8 OUTLIER -74.69 142.29 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 39' ' ' ILE . 16.9 t -129.54 160.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.561 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.6 mp -76.78 119.54 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.171 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -55.28 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.0 154.98 28.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.88 HG12 HG22 ' A' ' 19' ' ' ILE . 32.6 m -126.47 138.46 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.855 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -60.62 -24.73 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.987 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.74 31.46 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.81 14.61 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.725 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.48 -164.62 11.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.392 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.32 -24.65 57.52 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.571 2.181 . . . . 0.0 112.298 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.794 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -109.86 28.0 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.17 27.4 3.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.64 -41.57 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 19' ' ' ILE . 55.3 mt -120.95 102.12 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 173.62 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -49.23 -29.16 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.71 -29.7 70.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.804 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.26 127.98 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.34 133.45 39.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.692 ' CG2' HG23 ' A' ' 37' ' ' ILE . 10.9 m -86.63 126.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.859 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -111.86 -30.19 7.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.393 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.9 ttp -140.58 144.74 36.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 61' ' ' VAL . 10.0 p -137.57 119.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.87 32.24 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.6 4.5 79.78 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.844 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.517 HG21 ' CD ' ' A' ' 77' ' ' GLN . 25.5 t -107.59 137.63 37.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -66.34 143.11 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.78 ' HB3' HG22 ' A' ' 37' ' ' ILE . 6.3 mtp -118.34 26.66 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -120.36 24.22 10.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 179.46 43.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.719 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.56 147.14 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.326 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.49 153.82 41.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.459 ' O ' HG12 ' A' ' 75' ' ' VAL . 18.3 t-80 -49.6 -38.45 31.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -69.63 -37.99 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -38.34 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.85 58.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 72' ' ' ALA . 12.8 p -65.84 -41.07 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' HG13 ' A' ' 75' ' ' VAL . 12.9 pt20 -61.26 -27.63 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 111.112 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.517 ' CD ' HG21 ' A' ' 64' ' ' VAL . 41.1 mm-40 -72.02 -50.13 31.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.218 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' A' ' 17' ' ' PHE . 3.7 pp -72.72 -30.57 64.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.8 m -56.0 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.054 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -29.21 11.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -166.73 30.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.8 p30 176.65 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.06 110.26 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -97.95 136.01 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.985 0.421 . . . . 0.0 111.117 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.723 HD12 ' CD1' ' A' ' 9' ' ' LEU . 3.7 mt -130.84 138.11 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.673 HG22 ' HG2' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -97.98 123.24 41.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.8 pp -122.83 165.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.1 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.03 145.13 43.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 0.0 111.296 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.252 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 63.3 tt0 . . . . . 0 CA--C 1.523 -0.083 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.483 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.0 tt0 -106.88 130.75 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.049 0.452 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -118.86 138.07 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.306 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 88' ' ' THR . 18.1 p -108.62 118.03 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.061 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -119.67 147.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.038 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 m -107.92 113.98 27.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.1 mt -106.25 115.4 30.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -76.85 128.56 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -59.58 128.93 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.92 151.53 44.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.55 148.58 72.95 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.245 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.62 -42.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.929 ' CD1' HD22 ' A' ' 43' ' ' LEU . 35.8 m-85 -117.25 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.48 -88.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.713 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -98.08 -32.65 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.733 0.302 . . . . 0.0 111.179 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.864 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 101.2 -23.71 34.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.69 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.742 HG22 HG12 ' A' ' 42' ' ' VAL . 2.6 pp -131.2 152.93 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 122.53 47.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.5 pp -73.29 155.91 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.83 148.3 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.54 -104.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.49 119.1 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 110.923 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.751 0.31 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.676 HG22 ' HB3' ' A' ' 66' ' ' MET . 3.4 tp -75.99 143.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 p -136.1 153.35 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.96 121.99 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.13 -55.18 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.74 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.87 150.55 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 19' ' ' ILE . 28.1 m -131.72 147.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.929 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -74.43 -28.39 61.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.002 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt 65.13 30.18 11.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.632 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.62 16.41 2.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.675 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -168.24 11.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.518 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.74 -30.62 47.27 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.653 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -106.83 29.19 7.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -41.7 80.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.19 43.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.59 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.85 -40.0 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 HD13 ' A' ' 87' ' ' ILE . 3.9 mt -120.92 106.71 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -129.94 171.84 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.77 -30.78 6.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -32.04 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.583 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -97.75 105.45 17.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.671 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.52 122.04 24.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.757 ' HA ' HG22 ' A' ' 89' ' ' ILE . 33.5 t -75.98 127.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.562 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . . . -117.14 -25.34 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.546 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' MET . . . . . 0.406 ' HB3' ' OG1' ' A' ' 88' ' ' THR . 8.6 ttm -150.3 149.01 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 87' ' ' ILE . 21.9 t -141.97 120.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 t30 54.64 32.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.18 -26.17 18.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.763 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.454 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.4 t -83.75 128.62 38.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 143.02 58.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.676 ' HB3' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -121.14 27.95 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.09 12.89 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 177.66 55.32 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.68 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -131.54 153.43 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.05 153.64 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.89 ' O ' HG23 ' A' ' 75' ' ' VAL . 42.2 p-80 -51.19 -46.8 62.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.5 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.75 -36.18 83.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HA ' ' HE3' ' A' ' 66' ' ' MET . . . -73.2 -45.41 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 71' ' ' HIS . 28.9 t -60.29 -50.69 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -58.93 -26.94 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.096 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.454 ' CG ' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -72.03 -50.25 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.031 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.62 -30.6 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.747 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.39 -24.9 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -22.18 66.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.155 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.3 m -56.62 -73.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.15 -34.52 5.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.598 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 31.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 p30 179.69 74.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.22 107.17 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -92.75 138.69 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.509 HG23 HG22 ' A' ' 61' ' ' VAL . 4.0 mp -130.61 126.24 60.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.529 ' CG2' HG22 ' A' ' 6' ' ' THR . 4.8 p -98.46 126.82 44.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -135.24 167.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.562 ' NH1' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -133.2 145.9 51.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.301 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 16.3 pt-20 . . . . . 0 C--O 1.229 0.017 0 CA-C-O 120.66 0.267 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.584 ' HG2' HG22 ' A' ' 88' ' ' THR . 8.0 tt0 -107.4 127.16 53.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.135 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.404 ' CE1' ' HG3' ' A' ' 3' ' ' GLU . 24.6 m80 -130.78 138.59 49.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 6' ' ' THR . 8.5 t -115.66 116.97 29.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 t -118.29 150.01 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 4.5 m -102.53 119.06 38.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.863 HD13 ' HB2' ' A' ' 48' ' ' ALA . 35.0 mt -106.09 114.89 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.41 119.22 10.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.79 120.3 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.86 155.54 42.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.59 157.73 4.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.606 2.204 . . . . 0.0 112.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.57 2.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -150.38 -64.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 0.0 110.824 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -77.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.683 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.761 ' CD1' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -60.04 -37.02 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.762 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.96 -17.28 56.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.852 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.896 HG22 ' CG1' ' A' ' 42' ' ' VAL . 2.1 pp -138.03 171.28 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -119.91 148.0 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.711 HD11 HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.61 149.99 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 133.97 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.14 -125.07 3.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.56 111.81 3.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.636 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 67' ' ' ASP . 59.7 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.634 0.254 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.802 HG22 ' HB3' ' A' ' 66' ' ' MET . 0.7 OUTLIER -74.57 141.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 111.224 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.9 p -123.69 161.69 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.715 HD12 HD13 ' A' ' 19' ' ' ILE . 27.1 mm -73.77 119.16 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.074 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -66.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.497 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -142.66 154.99 44.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.896 ' CG1' HG22 ' A' ' 19' ' ' ILE . 26.7 m -132.79 150.2 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.762 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -75.69 -30.05 59.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 tttt 63.61 32.06 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.59 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -145.7 17.18 1.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.666 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -153.57 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 -30.54 22.34 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.617 2.211 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.863 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -104.81 28.99 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.229 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.56 -44.72 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.78 40.01 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.577 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -111.17 -39.88 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.663 HD12 HG12 ' A' ' 19' ' ' ILE . 11.2 mt -120.66 106.39 11.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 173.64 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -30.57 47.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -32.04 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.67 118.83 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 -84.46 126.78 33.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.66 HG13 HG23 ' A' ' 37' ' ' ILE . 9.3 p -91.85 133.54 33.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.01 5.17 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.885 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -160.13 141.49 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 111.205 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 61' ' ' VAL . 9.5 p -142.0 119.32 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.3 32.32 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.36 -25.94 22.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.688 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.521 HG21 ' HG2' ' A' ' 77' ' ' GLN . 21.8 t -78.4 145.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.224 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.2 m -77.03 143.07 39.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.802 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.4 mtt -116.8 27.98 8.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 36' ' ' SER . 20.2 t70 -119.09 23.21 11.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -180.0 38.76 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.45 146.66 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.69 153.7 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.903 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.3 p-80 -54.32 -46.35 72.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.67 90.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.4 -36.83 83.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.02 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 71' ' ' HIS . 30.6 t -72.03 -53.08 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -29.68 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 64' ' ' VAL . 1.5 mt-30 -72.03 -50.16 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 79' ' ' ARG . 3.9 pp -72.75 -30.99 64.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.87 ' N ' HD12 ' A' ' 78' ' ' LEU . 24.6 ttt-85 -66.87 -25.04 66.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -25.95 68.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.3 m -54.3 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.71 -18.76 51.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.835 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -168.68 31.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.726 0.298 . . . . 0.0 110.875 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 174.65 73.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.86 105.65 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 5.9 pttt -95.67 139.6 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.647 HD13 HD12 ' A' ' 9' ' ' LEU . 3.8 mp -130.83 132.83 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.037 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.584 HG22 ' HG2' ' A' ' 4' ' ' GLN . 6.0 m -98.46 118.63 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.578 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.6 pp -126.15 163.55 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.3 138.68 45.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.638 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.5 OUTLIER . . . . . 0 CA--C 1.524 -0.053 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -107.54 127.3 53.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.898 0.38 . . . . 0.0 111.325 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -133.02 138.58 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.845 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 t -116.5 121.88 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.17 147.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -102.69 113.72 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD12 ' CD1' ' A' ' 87' ' ' ILE . 2.6 mt -106.12 115.88 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -78.9 117.25 19.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -58.89 134.12 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -119.5 159.36 46.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 29.8 Cg_endo -63.04 142.13 86.39 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.644 2.229 . . . . 0.0 112.248 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.07 -39.28 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -138.45 -71.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 -106.91 1.74 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.579 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -60.05 -37.19 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.6 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.62 -22.19 28.98 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.062 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.75 HG21 ' HB2' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -121.14 164.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.38 118.03 33.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.603 HD11 HG21 ' A' ' 37' ' ' ILE . 2.4 tt -80.23 131.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.81 133.98 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.58 24.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.661 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 138.4 98.42 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.381 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.521 -179.61 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.353 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.611 HD11 HG23 ' A' ' 69' ' ' VAL . 40.2 mt -83.97 148.74 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.02 164.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.5 HD13 ' C ' ' A' ' 52' ' ' LEU . 4.4 mt -90.44 118.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -65.49 -66.83 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.95 154.28 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 19' ' ' ILE . 27.8 m -120.7 134.78 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.363 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -59.89 -28.32 67.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.889 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 68.21 30.2 5.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.788 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.643 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -147.62 17.58 1.45 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.721 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.37 -171.76 13.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 -27.06 45.34 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.599 2.199 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.668 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -114.72 33.97 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.313 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.71 -47.24 80.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.67 32.82 2.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -105.11 -44.92 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.75 ' HB2' HG21 ' A' ' 19' ' ' ILE . 4.2 mt -117.28 107.13 14.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -129.67 173.72 10.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -49.62 -31.85 11.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.45 -30.17 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.24 106.34 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.748 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -78.06 123.78 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.729 ' HA ' HG22 ' A' ' 89' ' ' ILE . 12.5 m -75.99 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.79 -35.56 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.42 150.95 38.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 61' ' ' VAL . 11.6 p -141.97 119.28 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.43 32.34 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.4 4.51 80.49 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.82 127.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -57.11 142.44 42.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.611 ' SD ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -117.87 36.9 4.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.12 27.81 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -179.93 41.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 37' ' ' ILE . 31.0 m -142.91 149.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.338 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.773 ' OE1' ' HB3' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -73.77 153.72 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.789 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 75' ' ' VAL . 34.9 p80 -49.71 -44.45 48.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.773 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . . . -56.41 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.542 ' CE1' ' NE2' ' A' ' 77' ' ' GLN . 8.1 t80 -61.57 -34.88 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.6 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.4 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 71' ' ' HIS . 34.6 t -63.77 -47.31 91.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.391 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -59.87 -24.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.061 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.542 ' NE2' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -71.97 -50.35 29.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.158 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.7 -30.74 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.82 -26.16 61.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -63.74 -27.2 69.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -58.35 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.1 -29.5 9.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -168.81 31.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 178.15 72.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.24 113.3 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 139.52 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.05 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.709 ' CD1' HD12 ' A' ' 9' ' ' LEU . 3.1 mp -130.93 130.18 63.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.173 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -98.53 118.89 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -129.44 165.05 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.295 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.0 146.82 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.8 mm-40 . . . . . 0 CA--C 1.523 -0.058 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -107.21 127.26 53.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 111.495 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.18 138.53 54.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.468 HG22 HG23 ' A' ' 88' ' ' THR . 21.6 p -114.11 115.58 27.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.7 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.52 150.14 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 8' ' ' THR . 9.9 t -107.96 114.28 28.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.34 113.1 26.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -76.04 124.56 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -58.19 140.98 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.31 147.94 46.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.62 146.14 45.07 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.533 2.155 . . . . 0.0 112.268 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.61 -60.31 4.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.597 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.94 ' CD1' HD13 ' A' ' 43' ' ' LEU . 35.7 m-85 -82.26 -69.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.43 -81.89 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.681 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 3.4 t80 -93.85 -37.17 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.21 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.709 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 93.82 -26.29 17.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.649 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.018 HG22 HG12 ' A' ' 42' ' ' VAL . 1.1 pt -133.42 172.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.22 118.02 25.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.821 HD11 HG22 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -79.09 145.53 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.35 141.91 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.32 -157.59 24.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.43 98.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.79 0.329 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 mm -82.89 137.41 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 39' ' ' ILE . 10.0 p -133.93 158.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' N ' HG22 ' A' ' 38' ' ' VAL . 23.4 mm -75.8 118.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -66.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.81 154.96 51.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.018 HG12 HG22 ' A' ' 19' ' ' ILE . 35.8 m -136.03 144.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.349 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.94 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.39 -27.24 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' A' ' 42' ' ' VAL . 1.0 OUTLIER 63.05 32.69 15.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.441 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.04 14.8 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.726 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.05 -166.72 11.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.353 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -55.76 -32.39 84.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 0.0 112.304 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.456 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -101.96 26.85 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.366 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -42.7 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.22 33.11 1.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -105.92 -35.19 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 19' ' ' ILE . 5.1 mp -120.06 117.05 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -143.36 173.76 11.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.91 -31.93 19.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.25 -30.88 71.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.692 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 2.3 m-20 -97.9 103.33 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.735 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 121.24 22.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 89' ' ' ILE . 29.1 t -77.47 126.79 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -112.87 -26.78 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.409 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 ttm -147.9 153.71 39.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.853 HG23 ' CD1' ' A' ' 87' ' ' ILE . 11.6 p -142.0 119.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.04 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.34 32.27 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -26.18 20.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.642 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -85.7 127.39 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.99 139.52 54.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.708 ' CE ' ' HB1' ' A' ' 74' ' ' ALA . 1.1 mtt -110.84 29.7 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -120.79 26.39 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -179.42 38.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.39 144.01 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.272 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.608 ' OE2' ' HB3' ' A' ' 72' ' ' ALA . 2.8 pt-20 -70.84 153.84 42.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.8 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -45.62 -51.49 12.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.672 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HB3' ' OE2' ' A' ' 70' ' ' GLU . . . -55.09 -50.65 68.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.493 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.429 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 20.9 t80 -60.23 -33.7 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB1' ' CE ' ' A' ' 66' ' ' MET . . . -73.24 -38.22 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.438 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 21' ' ' ILE . 18.1 t -71.95 -44.5 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.513 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -65.49 -25.24 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.085 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -71.96 -50.27 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 3.6 pp -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -24.82 65.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . 37.0 m -56.72 -81.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.52 -28.92 9.02 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.779 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.95 29.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.21 80.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 81' ' ' SER . . . -113.79 111.14 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 87' ' ' ILE . 2.1 pttp -94.76 139.52 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.672 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.853 ' CD1' HG23 ' A' ' 61' ' ' VAL . 23.6 mm -128.46 134.87 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 HG22 ' A' ' 6' ' ' THR . 31.5 m -98.31 114.86 27.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.357 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.811 HD13 ' HD2' ' A' ' 91' ' ' ARG . 2.7 pp -124.48 164.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.246 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.54 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.06 148.76 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.254 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.811 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.817 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 17.1 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.521 0.201 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -107.74 133.1 52.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.05 138.19 46.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.002 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' OG1' ' A' ' 88' ' ' THR . 58.0 p -112.22 125.79 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.25 150.9 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 86' ' ' LYS . 0.7 OUTLIER -105.77 115.19 29.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.819 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -106.06 114.07 27.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 129.87 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -59.91 124.05 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.86 159.15 33.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 30.8 Cg_endo -63.91 151.08 86.82 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.542 2.161 . . . . 0.0 112.156 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.54 -45.87 2.0 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.376 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.723 ' CD2' HD22 ' A' ' 43' ' ' LEU . 34.4 m-85 -133.76 -69.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.671 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.51 -87.76 0.43 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.907 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.625 ' CD2' HD12 ' A' ' 78' ' ' LEU . 5.2 m-85 -61.79 -37.08 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.701 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 92.03 -23.7 25.24 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.694 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.011 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -133.08 172.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.91 124.05 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.45 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.9 pp -77.86 156.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.142 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -140.37 141.92 35.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.64 -156.19 20.91 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 144.36 109.75 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.247 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 22' ' ' SER . 31.1 mm -71.79 140.18 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.05 163.06 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.5 mm -78.36 110.1 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.9 t -67.41 -69.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -148.49 154.93 40.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.011 HG12 HG22 ' A' ' 19' ' ' ILE . 26.9 m -128.14 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.253 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.723 HD22 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.18 -29.77 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.874 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 65.39 31.87 10.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.582 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -149.19 19.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.598 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.63 -151.84 7.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.02 -26.18 21.96 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.576 2.184 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.546 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -114.3 34.44 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.22 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.22 -34.58 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.25 28.08 2.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -105.58 -39.6 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.814 ' HB2' HG21 ' A' ' 19' ' ' ILE . 33.9 mt -120.97 122.67 40.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.22 173.75 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.04 -33.3 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -65.92 -30.92 71.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.6 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -95.09 105.94 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -78.7 123.11 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 37' ' ' ILE . 7.9 p -82.74 131.57 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -114.12 -26.19 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.35 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.5 ttm -151.07 146.46 26.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.873 HG13 ' CD1' ' A' ' 87' ' ' ILE . 69.5 t -134.49 119.57 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.5 t30 55.51 32.22 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.49 78.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.027 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.583 HG21 ' NE2' ' A' ' 77' ' ' GLN . 21.2 t -107.68 126.84 64.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 142.95 45.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.849 ' HG3' HG23 ' A' ' 61' ' ' VAL . 14.8 mmt -120.77 26.64 8.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -94.48 -13.72 25.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -162.73 64.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.78 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -135.17 148.38 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.029 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 6.0 pt-20 -77.4 146.67 36.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.027 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 75' ' ' VAL . 18.0 p-80 -46.08 -48.29 17.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.434 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -63.89 -40.32 96.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.686 179.774 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.45 ' HB3' HD13 ' A' ' 21' ' ' ILE . . . -65.15 -52.14 56.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 71' ' ' HIS . 12.7 t -57.8 -48.1 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.338 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 13.3 pt20 -59.83 -24.85 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.583 ' NE2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -66.96 -50.47 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.912 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -72.79 -30.67 64.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.638 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -31.66 72.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -66.4 -27.17 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -54.27 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.82 -38.64 3.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.682 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.69 32.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.975 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -179.17 71.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.47 109.97 21.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -90.71 138.7 31.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.873 ' CD1' HG13 ' A' ' 61' ' ' VAL . 20.2 mm -128.12 132.34 68.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 6' ' ' THR . 55.4 m -98.41 114.68 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.704 HG21 HD22 ' A' ' 52' ' ' LEU . 2.8 pp -126.04 159.47 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.383 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.78 137.91 43.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.681 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.9 mm-40 . . . . . 0 C--O 1.225 -0.186 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.664 ' HG2' HG22 ' A' ' 88' ' ' THR . 50.2 tt0 -106.6 126.87 52.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.479 . . . . 0.0 111.448 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -133.39 139.16 46.62 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.954 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.788 HG23 ' OG1' ' A' ' 88' ' ' THR . 0.3 OUTLIER -105.49 115.33 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.026 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.85 140.63 40.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.335 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 1.7 m -95.85 111.96 23.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.05 115.9 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -76.32 125.54 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 15.8 mtp-105 -54.93 130.46 41.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -117.65 159.1 43.54 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 38.9 Cg_endo -66.48 151.31 83.32 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.617 2.211 . . . . 0.0 112.241 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.63 12.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.426 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.939 ' CD2' HD13 ' A' ' 43' ' ' LEU . 97.2 m-85 -152.48 -60.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.57 -98.17 0.99 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.708 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.695 ' CE1' HD12 ' A' ' 78' ' ' LEU . 34.3 m-85 -59.56 -36.92 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 96.9 -14.74 63.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.825 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.144 HG22 HG12 ' A' ' 42' ' ' VAL . 1.8 pp -140.56 168.7 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 111.299 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.21 128.32 56.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.4 mp -78.04 145.43 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 135.17 25.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.37 -151.99 19.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.76 123.19 2.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.77 148.18 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.4 t -139.1 158.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.7 mp -83.22 120.0 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -68.98 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.45 155.02 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.748 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.144 HG12 HG22 ' A' ' 19' ' ' ILE . 36.0 m -125.21 144.84 33.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 111.404 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.939 HD13 ' CD2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -70.41 -30.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.21 31.69 6.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.809 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.97 16.81 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.743 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.33 -170.93 12.4 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.445 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.63 -28.92 39.11 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.588 2.192 . . . . 0.0 112.357 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -104.91 26.83 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.299 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -42.1 88.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.6 39.99 1.47 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.598 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.0 -42.7 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.778 HD12 HG12 ' A' ' 19' ' ' ILE . 11.3 mt -112.69 114.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.98 173.73 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.88 -29.07 4.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -32.06 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.703 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.518 ' HB3' HD13 ' A' ' 89' ' ' ILE . 1.4 m-20 -97.08 93.52 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -66.15 126.57 29.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.812 ' HA ' HG22 ' A' ' 89' ' ' ILE . 21.4 t -80.31 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . . . -113.22 -33.58 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.286 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 ttp -152.88 155.75 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.877 HG12 HG23 ' A' ' 87' ' ' ILE . 5.1 m -141.45 119.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 51.48 32.4 8.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.43 -26.28 22.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.582 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.754 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.3 t -77.97 125.11 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -61.48 139.57 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.504 ' HE1' ' HB1' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -109.58 31.29 5.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.24 18.32 13.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.65 54.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -142.9 148.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 4.6 pt-20 -82.34 153.69 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -46.79 -38.41 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.564 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.85 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.0 m-85 -61.31 -33.82 74.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.508 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -71.95 -52.98 14.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.462 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.65 -40.48 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.42 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 14.5 pt20 -66.94 -27.75 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.148 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.754 ' CG ' HG21 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -70.52 -50.25 39.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.055 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD12 ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -72.83 -30.69 64.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -67.48 -27.24 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -63.88 -23.77 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -58.58 -66.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.0 -37.1 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -168.79 31.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -179.94 72.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.79 119.9 39.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 1.7 ptmt -96.15 135.5 37.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG12 ' A' ' 61' ' ' VAL . 30.8 mt -130.71 132.86 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.2 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.788 ' OG1' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.54 118.55 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.203 179.482 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.812 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.7 pp -134.26 162.62 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.609 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.681 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.79 143.94 51.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.399 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.044 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.548 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 3.9 tt0 . . . . . 0 C--O 1.226 -0.161 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.463 ' HB2' ' HG2' ' A' ' 90' ' ' ARG . 1.6 tt0 -106.55 132.39 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.159 0.504 . . . . 0.0 111.621 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -132.99 138.55 46.88 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.48 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 122.76 48.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 142.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.58 116.42 31.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -103.56 109.54 21.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.93 110.7 2.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.003 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.71 120.63 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.6 158.63 34.97 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 61.4 Cg_endo -73.09 147.12 42.39 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.97 -28.25 13.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.555 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.49 ' CD1' HD13 ' A' ' 43' ' ' LEU . 74.1 m-85 -135.17 -61.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.07 -95.52 1.12 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.11 -36.69 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.933 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.605 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 85.9 -1.21 87.95 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.976 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 52' ' ' LEU . 2.3 pt -126.8 156.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 111.334 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 41' ' ' ASP . . . -122.45 118.14 27.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 pp -76.51 151.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.69 133.85 29.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.38 -145.25 15.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.418 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 112.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 111.21 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.776 0.322 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 66' ' ' MET . 4.7 mp -115.73 113.95 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.31 166.15 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.6 mm -75.72 119.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -47.15 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m-20 -152.27 154.86 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.632 HG12 HG22 ' A' ' 19' ' ' ILE . 36.0 m -132.41 134.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.605 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -56.87 -26.38 58.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 68.52 30.25 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.92 14.3 2.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.673 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.4 -175.04 14.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.37 -25.87 25.89 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.629 2.22 . . . . 0.0 112.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.579 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -115.72 33.18 5.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.255 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -55.2 -41.25 71.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.14 28.36 2.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -98.93 -37.63 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.734 ' HB2' HG21 ' A' ' 19' ' ' ILE . 1.9 mt -118.62 127.91 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.0 173.68 11.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.9 -30.02 44.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.6 -31.56 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.41 113.8 25.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 118.35 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 89' ' ' ILE . 12.2 t -82.02 128.71 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB2' HH11 ' A' ' 90' ' ' ARG . . . -113.5 -32.14 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.313 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.2 ttm -145.64 147.9 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 111.244 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' HG12 ' A' ' 64' ' ' VAL . 60.9 t -140.19 119.31 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t30 53.64 31.85 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.361 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.77 -26.25 24.81 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.381 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 61' ' ' VAL . 12.0 p -86.23 145.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 117.008 0.404 . . . . 0.0 111.542 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -76.44 143.06 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.596 ' CG ' HG23 ' A' ' 61' ' ' VAL . 15.2 mmt -108.95 28.73 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.72 21.73 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -179.34 38.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.404 ' CA ' ' HG2' ' A' ' 25' ' ' ARG . 30.7 m -128.53 147.88 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.11 153.63 39.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.4 t-80 -49.84 -55.15 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.45 92.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -36.7 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.31 -46.65 48.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 71' ' ' HIS . 21.2 t -58.28 -42.47 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.279 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.02 -27.99 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.646 ' HG3' HG11 ' A' ' 64' ' ' VAL . 10.2 mm100 -69.73 -50.16 46.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD13 ' CD2' ' A' ' 17' ' ' PHE . 3.5 pp -72.67 -31.2 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.771 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -67.61 -24.87 65.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -23.91 67.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.226 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.1 m -57.48 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.713 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.95 -28.7 10.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.662 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -167.19 32.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.81 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.13 76.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.28 113.59 26.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' ' 87' ' ' ILE . 9.5 pttt -95.7 139.51 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.749 ' CD1' HG13 ' A' ' 61' ' ' VAL . 20.6 mm -124.83 129.35 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.256 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 4' ' ' GLN . 0.5 OUTLIER -98.52 121.8 40.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.725 HG22 HG22 ' A' ' 58' ' ' VAL . 2.8 pp -134.18 159.68 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -135.91 139.68 43.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.43 . . . . 0.0 111.5 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.635 0.255 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -107.4 127.15 53.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 111.01 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -126.39 138.52 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 88' ' ' THR . 20.3 p -114.74 120.7 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.74 152.75 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.22 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 86' ' ' LYS . 42.9 p -111.07 116.07 30.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.2 mt -106.07 115.84 30.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.036 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -77.21 120.27 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -58.76 121.68 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -113.43 159.21 36.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 15.3 Cg_endo -57.14 142.14 94.37 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.612 2.208 . . . . 0.0 112.145 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.56 -28.94 11.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.389 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.792 ' CG ' HD22 ' A' ' 43' ' ' LEU . 2.4 m-85 -160.26 -75.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.328 . . . . 0.0 110.81 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.16 -84.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.702 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 1.2 t80 -59.69 -36.83 77.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.581 ' HA3' ' HB3' ' A' ' 48' ' ' ALA . . . 93.65 -22.46 35.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.709 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.848 HG22 HG12 ' A' ' 42' ' ' VAL . 2.3 pp -139.33 172.51 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.78 119.17 27.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.504 HD11 HG22 ' A' ' 75' ' ' VAL . 1.6 pt -77.75 166.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 134.02 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' HD12 ' A' ' 37' ' ' ILE . . . 151.52 -137.22 5.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.55 107.52 1.43 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.187 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.668 0.27 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.486 HD12 ' HA3' ' A' ' 23' ' ' GLY . 1.6 tp -71.71 145.87 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.9 t -133.36 159.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.771 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.478 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.0 pp -77.72 121.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 0.0 111.298 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.05 -61.26 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -147.72 154.48 40.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.848 HG12 HG22 ' A' ' 19' ' ' ILE . 29.6 m -128.72 155.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.792 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -82.89 -31.18 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HG2' HG23 ' A' ' 42' ' ' VAL . 3.7 mttm 63.29 33.39 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -143.8 15.07 2.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.709 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.63 -157.0 8.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.4 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.21 -25.54 36.88 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.53 2.154 . . . . 0.0 112.406 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.822 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -107.37 28.69 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -37.29 86.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.66 41.94 1.05 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.539 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -40.38 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.601 HD21 ' HB ' ' A' ' 87' ' ' ILE . 5.6 mp -118.44 125.77 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -149.0 173.59 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -32.71 3.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -41.29 96.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.696 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -92.78 87.61 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.18 132.03 52.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.669 ' HA ' HG22 ' A' ' 89' ' ' ILE . 23.8 t -82.07 139.03 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -125.26 -42.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -143.49 153.83 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.173 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 61' ' ' VAL . 11.5 p -142.01 123.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.22 32.28 7.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.95 -26.36 19.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.649 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.658 HG21 ' CD ' ' A' ' 77' ' ' GLN . 21.6 t -82.67 122.42 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -67.02 135.95 54.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.784 ' HE3' ' HB1' ' A' ' 74' ' ' ALA . 7.3 mtt -111.33 37.31 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.18 14.31 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.04 36.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.742 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 66' ' ' MET . 31.1 m -131.64 147.56 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 153.59 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 75' ' ' VAL . 38.2 t-80 -51.97 -48.99 64.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.17 88.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.93 -37.61 82.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.741 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.784 ' HB1' ' HE3' ' A' ' 66' ' ' MET . . . -73.44 -38.2 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 71' ' ' HIS . 20.8 t -67.33 -38.15 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.499 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -66.94 -28.59 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.658 ' CD ' HG21 ' A' ' 64' ' ' VAL . 80.0 mm-40 -72.13 -50.08 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.38 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 75' ' ' VAL . 1.7 pp -67.84 -46.25 72.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.257 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 78' ' ' LEU . 21.3 ptt180 -66.33 -24.88 66.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -63.76 -24.7 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.074 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 m -54.41 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.56 -38.19 3.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.659 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 31.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -177.5 70.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.415 ' HB1' ' HE1' ' A' ' 17' ' ' PHE . . . -104.4 112.62 25.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.022 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.563 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.18 139.47 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.601 ' HB ' HD21 ' A' ' 52' ' ' LEU . 3.5 mp -128.28 131.71 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.313 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.643 HG23 HG22 ' A' ' 6' ' ' THR . 22.8 m -98.61 118.7 35.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.696 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.6 pp -130.63 162.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.53 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -136.38 146.01 46.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.835 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.5 tt0 . . . . . 0 C--O 1.227 -0.129 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.551 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.4 tt0 -106.62 134.55 49.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.094 0.473 . . . . 0.0 111.443 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -133.02 138.79 46.92 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.44 119.15 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.24 152.52 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 9.7 t -110.9 114.02 27.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 48' ' ' ALA . 10.2 mt -106.09 115.68 30.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -77.51 120.4 22.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -57.92 130.68 47.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.65 147.42 38.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.32 157.01 9.66 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.501 2.134 . . . . 0.0 112.28 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.61 -52.19 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.556 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.805 ' CD1' HD13 ' A' ' 43' ' ' LEU . 58.2 m-85 -111.79 -73.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.25 -101.2 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.695 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -64.09 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.556 ' CA ' HD21 ' A' ' 43' ' ' LEU . . . 92.5 -19.9 47.7 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.768 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.995 HG22 HG12 ' A' ' 42' ' ' VAL . 1.5 pt -138.77 172.71 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.335 . . . . 0.0 111.158 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.44 118.12 29.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.575 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -81.99 157.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.98 133.82 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.21 -144.45 10.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.42 89.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' CB ' ' HA ' ' A' ' 68' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.706 0.288 . . . . 0.0 111.39 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.787 0.327 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 37' ' ' ILE . 2.5 mp -88.4 113.9 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.68 166.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -84.67 115.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -70.64 -61.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.12 154.87 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.995 HG12 HG22 ' A' ' 19' ' ' ILE . 28.2 m -123.53 148.98 27.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.805 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -75.05 -29.17 60.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.008 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt 65.19 31.24 10.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.49 16.55 2.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.711 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.18 -171.06 12.46 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.78 -30.09 45.35 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.543 2.162 . . . . 0.0 112.4 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -109.44 32.12 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -31.85 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.68 27.07 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.572 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.23 -43.63 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.573 HD22 HG21 ' A' ' 89' ' ' ILE . 10.2 mt -118.6 121.01 39.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.47 173.68 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -51.23 -29.95 15.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -67.61 -29.91 69.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.697 ' HB3' HD13 ' A' ' 89' ' ' ILE . 2.6 m-20 -100.97 116.25 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 134.93 35.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG22 HG22 ' A' ' 89' ' ' ILE . 3.4 t -91.35 131.73 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.993 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.451 ' HB3' ' OE1' ' A' ' 4' ' ' GLN . . . -111.01 -30.19 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -156.2 153.63 29.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 61' ' ' VAL . 11.6 p -141.82 119.34 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.33 32.44 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.17 82.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.874 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.1 t -100.98 126.61 54.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.07 131.71 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.471 ' HE3' ' HB1' ' A' ' 74' ' ' ALA . 12.9 mmt -104.72 25.18 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -124.76 21.44 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 25' ' ' ARG . 15.0 p30 176.11 52.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG21 ' CE ' ' A' ' 66' ' ' MET . 20.3 m -142.82 144.97 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.289 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 153.69 42.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.568 ' O ' HG12 ' A' ' 75' ' ' VAL . 47.4 t-80 -59.17 -38.34 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -70.87 -36.38 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.35 -37.51 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB1' ' HE3' ' A' ' 66' ' ' MET . . . -73.38 -40.25 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.205 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 71' ' ' HIS . 12.2 p -71.98 -46.51 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.585 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' HG13 ' A' ' 75' ' ' VAL . 1.5 pp0? -59.94 -33.46 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -50.02 31.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.2 pp -66.81 -30.52 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.702 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.77 -24.9 63.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.223 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -63.87 -17.2 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.303 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.534 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . 66.7 m -52.14 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.758 0.313 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.18 -40.51 2.52 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 31.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -177.98 70.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HB2' ' CB ' ' A' ' 81' ' ' SER . . . -103.65 109.0 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 2.8 ptmt -94.36 133.49 37.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.757 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 52' ' ' LEU . 2.8 mp -130.8 137.19 56.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.325 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.4 120.72 39.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.249 179.532 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.5 pp -133.48 168.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.39 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.551 ' HG3' ' HA ' ' A' ' 4' ' ' GLN . 0.4 OUTLIER -132.45 138.3 47.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.709 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.421 ' OE2' ' CE1' ' A' ' 5' ' ' HIS . 25.2 tt0 . . . . . 0 C--O 1.23 0.066 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -107.0 127.13 53.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.421 ' CE1' ' OE2' ' A' ' 3' ' ' GLU . 66.8 m-70 -129.23 139.18 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.053 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.627 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -103.71 122.26 44.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.89 153.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.55 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.1 t -122.68 112.46 17.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 87' ' ' ILE . 1.4 mt -105.93 116.71 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -76.38 104.51 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 38.4 mtp180 -47.78 116.59 1.53 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.65 155.75 41.68 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.54 148.67 14.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.665 2.243 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 15' ' ' PHE . . . 94.44 -44.83 2.24 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.552 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 15.8 m-85 -168.22 73.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.309 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -39.83 -54.59 2.92 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.703 ' CE1' HD22 ' A' ' 78' ' ' LEU . 5.9 t80 -70.15 -37.44 75.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.787 0.327 . . . . 0.0 111.057 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 66.97 5.72 34.19 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.265 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.993 HG23 HG12 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -136.49 165.05 29.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 117.111 0.455 . . . . 0.0 110.959 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 19' ' ' ILE . . . -113.52 118.0 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.66 136.54 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.495 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.48 133.91 37.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.71 -98.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 72.78 110.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.988 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' N ' HD12 ' A' ' 37' ' ' ILE . 3.9 mp -87.16 149.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 39' ' ' ILE . 10.9 t -142.2 162.05 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HG22 ' A' ' 19' ' ' ILE . 3.8 mp -81.44 122.19 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -79.39 -51.25 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.14 152.51 7.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.993 HG12 HG23 ' A' ' 19' ' ' ILE . 28.9 m -116.17 136.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.327 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -59.51 -21.22 59.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt 62.36 30.15 17.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.757 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.03 16.68 1.74 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.665 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.9 -154.94 8.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.378 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.11 -26.51 18.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.48 2.12 . . . . 0.0 112.38 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB3' HG13 ' A' ' 19' ' ' ILE . . . -111.09 26.16 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.388 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -51.67 -33.55 34.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.67 53.19 0.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -133.98 -49.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.651 HD23 HG21 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -105.66 124.51 49.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -151.7 173.72 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -54.2 -33.6 58.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -58.57 -30.3 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.91 119.45 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -83.65 136.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.87 138.93 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.81 -50.07 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.4 ttm -139.08 149.25 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.879 HG22 HG23 ' A' ' 87' ' ' ILE . 25.6 t -135.46 119.36 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.25 32.38 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -26.23 20.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.432 HG21 ' OE1' ' A' ' 77' ' ' GLN . 25.6 t -77.24 139.34 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.039 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.88 138.15 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.6 ' HG3' HG23 ' A' ' 61' ' ' VAL . 23.0 mmm -110.13 35.75 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -105.23 -9.96 17.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.542 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -167.77 68.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.398 . . . . 0.0 111.2 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CA ' ' HG2' ' A' ' 25' ' ' ARG . 27.0 m -142.93 142.25 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 8.3 pt-20 -73.8 147.86 43.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.824 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -43.31 -49.21 6.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.669 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.85 -43.74 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.355 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -68.92 -35.37 76.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.93 -39.89 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.89 -39.54 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.328 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 6.3 pt20 -68.2 -37.06 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' HG21 ' A' ' 64' ' ' VAL . 51.0 mm-40 -60.61 -50.14 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.703 HD22 ' CE1' ' A' ' 17' ' ' PHE . 4.3 pp -72.34 -31.24 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.507 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -64.84 -25.93 68.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -63.87 -26.7 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -54.66 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.11 -30.35 8.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.582 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.19 32.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.26 72.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.37 109.16 21.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -95.0 137.08 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 111.249 -179.681 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.879 HG23 HG22 ' A' ' 61' ' ' VAL . 4.2 mp -130.79 138.05 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.881 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.627 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.3 115.81 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.651 HG21 HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -126.35 155.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 147.3 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 7.4 mt-10 . . . . . 0 C--O 1.225 -0.216 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.653 ' HG2' HG22 ' A' ' 88' ' ' THR . 16.6 tt0 -106.63 129.25 54.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.16 0.505 . . . . 0.0 111.727 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -132.41 138.69 47.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.783 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -104.57 127.01 52.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.68 153.14 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 2.9 t -108.98 114.59 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.529 HD11 HD11 ' A' ' 52' ' ' LEU . 2.0 mt -106.1 111.65 24.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -58.33 147.99 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -127.68 159.13 67.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 34.5 Cg_endo -64.45 146.74 90.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.53 2.154 . . . . 0.0 112.3 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.56 -47.56 1.9 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -71.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.686 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.95 -94.37 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.62 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -37.22 77.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.082 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 80.55 -8.42 54.56 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.279 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.99 HG22 HG12 ' A' ' 42' ' ' VAL . 1.1 pt -140.46 166.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.997 0.399 . . . . 0.0 111.198 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 118.29 34.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.57 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.9 mp -81.35 135.69 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -133.24 146.02 51.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.35 -146.42 17.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.0 116.88 2.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.858 0.361 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.913 HD11 HG23 ' A' ' 69' ' ' VAL . 25.8 mt -89.34 143.89 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 39' ' ' ILE . 10.0 p -140.79 158.44 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.493 ' N ' HG22 ' A' ' 38' ' ' VAL . 26.2 mm -78.51 122.06 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.39 154.89 42.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.99 HG12 HG22 ' A' ' 19' ' ' ILE . 34.6 m -129.95 135.64 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.676 HD12 ' H ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -60.3 -26.9 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.997 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tptt 67.32 29.18 7.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.676 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -142.96 13.88 2.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.682 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -121.7 -164.2 12.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.41 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.34 -27.47 85.08 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.634 2.223 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.94 36.43 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.48 -39.16 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.78 35.44 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.446 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -108.47 -37.97 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD11 HD11 ' A' ' 9' ' ' LEU . 55.2 mt -120.86 131.71 54.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.73 173.81 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.57 -30.24 29.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -28.03 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -96.82 116.64 29.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -84.09 114.21 21.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.198 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 89' ' ' ILE . 31.1 t -75.99 130.97 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.62 -15.36 7.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttm -159.02 144.1 15.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.945 0.402 . . . . 0.0 111.517 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 87' ' ' ILE . 85.5 t -140.27 120.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.587 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.68 32.29 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.77 -17.12 56.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.881 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.619 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.3 t -88.1 135.85 24.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -65.36 143.02 58.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.754 ' HG3' HG23 ' A' ' 61' ' ' VAL . 17.8 mmt -121.73 27.48 8.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -114.04 21.81 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.78 39.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.913 HG23 HD11 ' A' ' 37' ' ' ILE . 28.0 m -129.71 158.03 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.61 153.52 40.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.801 ' O ' HG23 ' A' ' 75' ' ' VAL . 32.6 p-80 -54.47 -50.03 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.13 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.52 -39.28 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 71' ' ' HIS . 21.4 t -72.04 -38.99 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.45 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -66.29 -28.0 68.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.619 ' CG ' HG21 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -67.71 -50.34 58.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.78 -31.36 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.519 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.5 ttt-85 -65.48 -28.66 69.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -27.27 69.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.7 m -59.08 -72.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.81 -28.71 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.535 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -166.47 31.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m120 178.97 72.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.49 110.76 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -90.23 134.9 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 61' ' ' VAL . 40.8 mt -130.85 127.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 4' ' ' GLN . 1.4 m -98.47 133.44 42.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.7 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.687 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 pp -139.15 166.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -136.3 137.79 41.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 111.43 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.663 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.133 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.722 ' HG2' HG22 ' A' ' 88' ' ' THR . 13.8 tt0 -106.95 133.58 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.16 0.505 . . . . 0.0 111.651 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -133.07 139.0 46.92 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.763 HG23 ' OG1' ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.65 119.03 38.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.67 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.32 139.23 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 8' ' ' THR . 11.6 t -95.27 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 48' ' ' ALA . 26.3 mt -106.03 115.21 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -75.58 117.09 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -59.23 128.76 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -119.93 159.15 48.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 32.3 Cg_endo -63.95 142.61 82.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.633 2.222 . . . . 0.0 112.28 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.49 -28.5 15.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.83 ' CG ' HD13 ' A' ' 43' ' ' LEU . 66.7 m-85 -144.47 -69.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.33 -101.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.732 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -59.44 -37.19 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.72 0.295 . . . . 0.0 111.088 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.734 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 87.45 -19.18 33.49 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.098 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.026 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -130.87 172.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.82 131.66 47.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG2' HG21 ' A' ' 37' ' ' ILE . 29.7 mm -79.59 141.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.77 134.01 27.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.37 -135.42 9.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.46 135.92 4.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 3.9 ptt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 111.104 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.901 0.381 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 69' ' ' VAL . 20.5 mm -83.35 155.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.196 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' N ' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -128.6 166.09 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.137 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 mm -87.13 117.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.29 154.88 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.026 HG12 HG22 ' A' ' 19' ' ' ILE . 29.8 m -122.13 143.64 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.83 HD13 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -67.37 -26.82 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.975 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.33 30.65 6.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.44 18.97 1.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.726 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.94 -168.38 11.3 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 9' ' ' LEU . 58.3 Cg_exo -51.56 -28.0 27.21 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.54 2.16 . . . . 0.0 112.328 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -112.11 33.96 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.54 -48.67 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.04 33.36 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.588 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.31 -43.7 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.927 ' HB2' HG21 ' A' ' 19' ' ' ILE . 2.1 mt -120.79 114.21 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.7 173.79 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.31 -30.65 7.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.45 -31.1 71.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.567 ' HB3' HD13 ' A' ' 89' ' ' ILE . 3.9 m-20 -100.05 115.81 30.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.657 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -81.16 120.62 25.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.767 ' HA ' HG22 ' A' ' 89' ' ' ILE . 10.8 p -79.34 130.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.78 -26.54 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -149.74 149.45 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.965 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 87' ' ' ILE . 22.3 t -141.83 119.39 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 58.42 32.36 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 4.38 85.54 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.66 127.94 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.797 0.332 . . . . 0.0 111.06 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.95 143.03 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.475 ' CG ' HG23 ' A' ' 61' ' ' VAL . 23.8 mmt -114.54 30.19 7.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.23 16.98 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -178.96 37.84 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.789 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.628 ' O ' HD11 ' A' ' 37' ' ' ILE . 3.6 t -132.88 153.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.42 148.94 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 72' ' ' ALA . 9.6 p-80 -51.85 -38.32 55.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 71' ' ' HIS . . . -65.03 -40.56 95.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.492 ' HB2' HG12 ' A' ' 69' ' ' VAL . 3.3 m-85 -67.73 -35.96 79.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.36 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.358 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 76' ' ' GLN . 11.8 p -65.29 -42.89 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.352 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 75' ' ' VAL . 11.3 pt20 -60.51 -29.91 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.12 -50.16 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.844 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.1 pp -68.15 -30.69 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.996 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.844 ' N ' HD12 ' A' ' 78' ' ' LEU . 24.0 ttt180 -64.14 -28.65 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -68.01 -22.05 65.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -50.86 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.51 7.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -172.7 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -178.77 64.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.49 108.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -93.78 137.82 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.093 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.744 HD13 HD12 ' A' ' 9' ' ' LEU . 3.8 mp -130.98 129.82 63.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.763 ' OG1' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.46 130.37 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.7 pp -143.1 166.88 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.441 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -129.87 140.88 50.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.759 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 26.2 mm-40 . . . . . 0 C--O 1.227 -0.118 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.581 ' HG2' HG22 ' A' ' 88' ' ' THR . 7.1 tt0 -106.89 126.9 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.012 0.434 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -129.87 138.77 51.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.649 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.69 ' HB ' HG23 ' A' ' 88' ' ' THR . 11.2 t -108.2 115.11 29.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -113.24 150.26 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 7.1 m -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.8 mt -106.29 116.64 32.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -65.09 116.19 6.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -58.2 145.64 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.972 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.08 136.72 28.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 159.96 6.6 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.451 2.101 . . . . 0.0 112.188 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.93 -54.37 4.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.697 ' CD1' HD22 ' A' ' 43' ' ' LEU . 41.1 m-85 -104.59 -70.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.827 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.76 -96.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.575 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.665 ' CE1' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -98.14 -26.99 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.677 0.275 . . . . 0.0 110.952 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.564 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 114.69 -20.08 15.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.645 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.056 HG22 HG12 ' A' ' 42' ' ' VAL . 2.7 pt -127.97 172.53 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 118.19 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 tt -72.91 133.29 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.429 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -133.57 133.88 42.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.93 -166.4 25.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.88 114.7 0.94 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 111.134 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.837 0.351 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.69 HD12 ' SD ' ' A' ' 66' ' ' MET . 33.4 mt -103.49 138.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.5 p -142.04 161.28 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.525 ' N ' HG22 ' A' ' 38' ' ' VAL . 2.9 mp -74.33 123.61 30.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.976 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -46.57 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.53 154.93 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.056 HG12 HG22 ' A' ' 19' ' ' ILE . 32.1 m -130.39 151.4 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.258 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -77.41 -29.22 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 64.49 33.16 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -147.58 16.62 1.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.723 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.73 -156.09 8.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.37 -30.91 29.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.539 2.159 . . . . 0.0 112.156 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -104.78 28.93 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.01 -39.41 78.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.2 32.19 2.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -109.31 -38.0 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 89' ' ' ILE . 5.7 mt -120.94 123.85 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' N ' HD13 ' A' ' 39' ' ' ILE . 1.1 pt20 -146.68 173.64 12.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.25 -35.19 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.71 70.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.497 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -96.67 107.7 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.81 134.89 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.942 HG11 ' HE2' ' A' ' 66' ' ' MET . 18.2 t -87.12 132.56 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.578 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . . . -114.86 -35.04 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.362 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.4 ttm -152.95 147.41 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.906 HG12 HG23 ' A' ' 87' ' ' ILE . 15.7 m -136.97 125.52 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 t30 51.49 31.87 8.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.434 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.67 -26.29 22.66 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.403 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 61' ' ' VAL . 11.8 p -85.55 145.12 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.455 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -73.75 142.96 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.942 ' HE2' HG11 ' A' ' 58' ' ' VAL . 2.9 mmm -117.17 25.21 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.0 24.92 9.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 178.88 42.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 37' ' ' ILE . 29.7 m -141.36 153.08 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.28 153.68 33.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -52.97 -38.64 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.77 -35.35 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.09 57.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.483 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 76' ' ' GLN . 14.5 p -66.16 -42.7 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.498 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 75' ' ' VAL . 14.2 pt20 -60.99 -35.03 75.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.965 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -70.14 -50.09 43.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD13 ' CE1' ' A' ' 17' ' ' PHE . 4.4 pp -69.65 -30.67 68.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.639 ' N ' HD12 ' A' ' 78' ' ' LEU . 20.9 mtm180 -69.1 -25.09 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.033 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -23.37 67.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -54.33 -79.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.051 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.71 -29.75 8.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.89 31.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 178.32 79.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.392 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.81 110.62 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.82 132.35 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.906 HG23 HG12 ' A' ' 61' ' ' VAL . 38.2 mt -124.05 131.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.69 HG23 ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.47 120.46 38.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.661 HG21 HD23 ' A' ' 52' ' ' LEU . 2.8 pp -132.04 164.59 34.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.349 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -135.21 148.92 49.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.3 tt0 . . . . . 0 C--O 1.227 -0.117 0 CA-C-O 120.56 0.219 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.548 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 50.8 tt0 -106.36 127.4 53.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.109 0.481 . . . . 0.0 111.279 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -131.58 139.01 49.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.749 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.28 124.78 49.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.797 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.59 142.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -99.66 116.08 30.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' HB2' ' A' ' 48' ' ' ALA . 2.4 mt -106.06 115.49 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -73.69 122.59 22.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -63.66 144.38 57.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.96 142.84 34.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 146.51 60.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.457 2.104 . . . . 0.0 112.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.16 -61.28 4.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.626 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.38 -70.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.22 -109.23 1.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -80.68 -27.57 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.915 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 91.9 -20.56 41.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.077 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.689 HG22 ' CG1' ' A' ' 42' ' ' VAL . 1.1 pt -119.28 172.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.44 118.18 22.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 21' ' ' ILE . 2.6 pp -77.81 152.03 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.84 134.03 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.76 -140.01 8.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.96 122.65 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.791 HD11 HG23 ' A' ' 69' ' ' VAL . 3.7 mp -75.98 147.57 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.4 p -141.27 159.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -75.0 113.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -72.34 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.16 154.53 37.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.689 ' CG1' HG22 ' A' ' 19' ' ' ILE . 35.5 m -129.64 136.29 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -59.51 -24.63 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.996 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 31.95 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.776 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.3 17.2 1.32 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.748 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.08 -155.39 9.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 -27.11 22.87 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.172 . . . . 0.0 112.365 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.648 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -115.76 35.32 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -57.29 -37.83 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.09 31.54 2.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.94 -38.9 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.768 HD11 HD12 ' A' ' 87' ' ' ILE . 26.8 mt -121.0 133.24 55.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -151.94 173.67 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.62 -30.43 21.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -64.58 -31.67 72.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 89' ' ' ILE . 9.6 m-20 -95.53 113.81 25.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.694 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -82.96 116.68 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.843 ' HA ' HG22 ' A' ' 89' ' ' ILE . 21.2 t -75.99 123.2 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.67 -21.66 10.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.522 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.6 ttp -154.49 153.35 31.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.92 0.39 . . . . 0.0 111.073 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 61' ' ' VAL . 10.5 p -142.02 119.66 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.837 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t30 53.74 32.21 14.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.68 -26.18 21.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.772 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.21 127.27 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.363 . . . . 0.0 111.323 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 m -56.86 143.03 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.79 ' SD ' HD13 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -115.96 31.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.31 26.29 7.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -178.67 38.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.791 HG23 HD11 ' A' ' 37' ' ' ILE . 12.6 m -134.69 154.54 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 153.64 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -54.24 -41.88 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -68.12 -45.81 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.436 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -60.12 -36.51 77.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.067 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -53.42 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.545 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 72' ' ' ALA . 11.0 p -55.88 -40.88 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.472 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -67.5 -25.15 65.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.219 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -50.46 29.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.052 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -38.97 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.813 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -64.99 -24.99 67.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -63.69 -22.16 66.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.093 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.8 m -54.3 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.6 -33.89 6.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -165.1 31.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -179.41 69.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.92 108.1 19.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.582 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -96.15 136.39 36.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.768 HD12 HD11 ' A' ' 52' ' ' LEU . 36.3 mt -130.21 131.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.749 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.44 123.93 42.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.843 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.8 pp -136.04 159.68 38.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -121.26 133.72 55.15 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.034 0.445 . . . . 0.0 111.324 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.798 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 59.2 tt0 . . . . . 0 C--O 1.227 -0.131 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.594 ' CB ' ' HG3' ' A' ' 90' ' ' ARG . 0.7 OUTLIER -106.28 137.49 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.256 0.55 . . . . 0.0 111.818 -179.191 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -133.15 138.79 46.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.497 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.536 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -107.03 121.7 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.97 143.0 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -98.5 116.71 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 48' ' ' ALA . 14.3 mt -106.16 114.56 28.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -74.91 116.2 15.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 118.11 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.51 159.2 33.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -59.38 148.13 88.02 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.566 2.178 . . . . 0.0 112.237 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.24 -34.72 5.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.385 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 43' ' ' LEU . 3.3 m-85 -156.5 -56.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.98 -89.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.659 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' HD2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -59.38 -37.07 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 0.0 111.132 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.757 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.1 -22.04 28.01 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 113.056 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.022 HG22 HG12 ' A' ' 42' ' ' VAL . 1.5 pt -124.03 161.02 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 111.292 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 119.02 36.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 74' ' ' ALA . 42.4 pt -82.1 136.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -124.17 133.95 53.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.8 -157.11 26.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.32 115.63 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 0.0 111.066 -179.87 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 22' ' ' SER . 29.0 mt -79.05 132.06 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.16 160.62 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -76.71 110.23 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -61.3 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -156.37 154.88 31.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 1.022 HG12 HG22 ' A' ' 19' ' ' ILE . 17.9 m -122.62 138.74 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.869 ' HD3' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER 65.84 28.77 10.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.797 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.6 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -140.69 12.49 2.93 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.719 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.34 -171.47 12.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.5 -29.4 40.02 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.538 2.159 . . . . 0.0 112.372 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.808 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -103.7 25.27 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.98 -43.52 91.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.65 52.84 0.72 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.561 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -130.52 -46.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.916 ' HB2' HG21 ' A' ' 19' ' ' ILE . 33.6 mt -113.77 120.32 40.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -151.12 173.67 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -50.55 -29.46 10.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -27.75 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.93 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.787 ' HB3' HD13 ' A' ' 89' ' ' ILE . 3.9 m-20 -108.04 121.49 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.78 127.12 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.617 ' HA ' HG22 ' A' ' 89' ' ' ILE . 18.5 t -81.81 139.1 18.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.17 -43.27 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.4 ttp -146.74 152.47 38.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.993 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.093 HG22 HG23 ' A' ' 87' ' ' ILE . 47.4 t -141.97 121.99 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 53.85 31.88 14.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.73 -25.84 25.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.386 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 61' ' ' VAL . 12.1 p -85.58 137.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.457 . . . . 0.0 111.575 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.4 p -77.19 143.2 39.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.48 ' SD ' HG11 ' A' ' 58' ' ' VAL . 8.7 mtt -110.45 29.16 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.46 10.89 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -179.57 46.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.665 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.664 HG23 HD11 ' A' ' 37' ' ' ILE . 13.9 m -134.0 152.39 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.65 153.54 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.904 ' O ' HG23 ' A' ' 75' ' ' VAL . 30.0 p-80 -55.54 -47.07 76.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.752 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.92 -40.05 91.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 21' ' ' ILE . . . -73.36 -33.73 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 71' ' ' HIS . 38.7 t -69.17 -48.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -59.78 -29.68 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.04 -50.01 32.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.4 pp -71.89 -30.69 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.799 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -72.66 -25.67 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -27.29 69.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 m -57.72 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.61 -29.19 10.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -173.81 35.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -177.14 64.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.07 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -92.04 139.62 30.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.978 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 1.093 HG23 HG22 ' A' ' 61' ' ' VAL . 3.3 mp -130.79 133.4 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.536 HG23 HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -98.46 127.98 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.787 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.8 pp -140.4 163.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -123.8 136.1 54.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 111.237 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.691 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.044 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -107.36 127.61 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -132.99 138.64 46.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.699 ' HB ' HG23 ' A' ' 88' ' ' THR . 2.3 t -116.53 118.03 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.628 HG21 ' OE1' ' A' ' 51' ' ' GLN . 21.6 t -118.66 149.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.222 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.3 m -104.24 117.94 35.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.991 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 ' CD1' ' A' ' 87' ' ' ILE . 2.9 mt -106.28 115.04 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -76.68 121.52 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 17.2 mtp-105 -60.35 128.94 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.52 146.13 46.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.88 150.22 30.88 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.532 2.154 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.81 -51.7 3.86 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.574 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.826 ' CD1' HD13 ' A' ' 43' ' ' LEU . 79.1 m-85 -106.47 -76.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.95 -108.34 1.73 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.697 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -67.76 -35.74 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.763 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 94.4 -23.33 32.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.833 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.904 HG22 HG12 ' A' ' 42' ' ' VAL . 2.6 pp -130.69 156.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 111.218 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.39 132.28 55.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' HB ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -91.08 162.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.93 134.05 19.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.7 -138.97 8.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 118.26 93.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.998 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.7 0.285 . . . . 0.0 111.615 -179.258 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.768 0.318 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.448 HG21 ' HE1' ' A' ' 66' ' ' MET . 30.3 mm -103.26 143.76 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.1 t -141.84 159.03 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.605 HD13 ' O ' ' A' ' 53' ' ' GLN . 3.8 mp -74.03 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.31 -54.49 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.27 154.93 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.904 HG12 HG22 ' A' ' 19' ' ' ILE . 21.1 m -131.11 137.37 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.289 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.826 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -61.72 -27.89 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HG2' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 61.71 28.22 17.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.731 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -141.95 13.32 2.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.734 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.64 -158.09 9.52 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.41 -28.03 46.71 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 112.211 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.636 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -110.15 32.32 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.026 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.59 76.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.32 28.94 2.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.628 ' OE1' HG21 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -98.07 -39.37 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.796 ' HB2' HG21 ' A' ' 19' ' ' ILE . 15.8 mt -120.9 125.21 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -149.24 173.74 13.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.95 -33.73 52.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -59.4 -29.65 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.637 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -108.02 99.95 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -64.03 140.26 58.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.771 ' HA ' HG22 ' A' ' 89' ' ' ILE . 19.7 t -88.21 130.64 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -113.8 -36.28 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttp -149.85 149.34 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.085 HG12 HG23 ' A' ' 87' ' ' ILE . 13.5 m -138.3 119.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 56.23 32.3 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.38 4.47 80.56 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.987 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.464 HG21 ' HG2' ' A' ' 77' ' ' GLN . 21.5 t -109.74 131.2 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.861 0.362 . . . . 0.0 111.161 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.1 142.98 53.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.587 ' HG2' HG22 ' A' ' 61' ' ' VAL . 10.0 mmm -123.79 37.71 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -119.85 22.75 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t30 173.91 48.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.876 0.369 . . . . 0.0 110.738 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.15 152.97 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 23.3 tt0 -68.72 153.11 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.417 ' CE1' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -57.78 -43.81 85.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -67.99 -38.09 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -34.4 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.476 ' HB1' ' SD ' ' A' ' 66' ' ' MET . . . -73.37 -45.9 52.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.655 ' HB ' HD11 ' A' ' 21' ' ' ILE . 10.1 p -66.18 -44.96 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.9 -23.99 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.464 ' HG2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -71.92 -50.17 31.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 21' ' ' ILE . 4.2 pp -72.38 -32.45 66.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.5 ttt180 -72.32 -25.01 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.919 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -19.53 65.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 6.5 m -52.62 -67.47 0.25 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.41 -43.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.582 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -166.74 32.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.86 65.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 81' ' ' SER . . . -97.95 106.59 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.05 139.71 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 1.085 HG23 HG12 ' A' ' 61' ' ' VAL . 4.1 mp -129.89 131.51 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.225 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.699 HG23 ' HB ' ' A' ' 6' ' ' THR . 1.4 m -98.64 121.21 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.1 pp -129.03 165.66 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.459 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.708 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.09 147.36 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.22 -28.14 23.43 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.508 2.139 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -176.16 131.1 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -133.71 13.85 4.75 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.755 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.04 30.97 17.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.72 -64.51 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 61.24 50.11 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.63 120.35 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.804 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -108.3 148.12 30.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.264 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -130.89 150.93 51.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.489 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -107.66 127.22 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.038 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -133.1 137.21 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.803 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.524 HG23 ' OG1' ' A' ' 88' ' ' THR . 6.1 m -114.47 128.07 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.75 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -128.86 148.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.688 HG23 ' HB3' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -97.47 118.92 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.08 HD13 ' HB2' ' A' ' 48' ' ' ALA . 51.2 mt -99.54 111.75 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -80.61 116.17 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 131.54 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.03 155.66 81.24 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -51.55 142.18 40.24 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.373 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.98 -40.74 2.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CG ' HD22 ' A' ' 43' ' ' LEU . 4.8 m-85 -153.85 -66.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.01 -77.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -59.51 -37.14 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 111.034 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.707 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 89.62 -23.53 19.07 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.084 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.043 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -130.24 166.77 26.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -113.38 118.13 33.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pp -65.35 147.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.342 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.01 133.91 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.59 -113.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 126.66 4.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -71.08 -33.25 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.92 39.7 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 170.4 8.3 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.98 -42.42 58.55 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.497 2.132 . . . . 0.0 112.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -123.23 133.69 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -145.01 160.89 40.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.06 126.05 46.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -73.09 116.81 14.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.07 11.59 6.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.453 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -145.46 -73.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.0 110.636 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p 49.8 35.23 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.254 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.5 p -108.18 134.88 50.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.031 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.89 HD12 ' HG3' ' A' ' 66' ' ' MET . 50.6 mt -74.22 150.09 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 39' ' ' ILE . 14.8 t -139.13 160.96 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.6 mp -84.99 120.23 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.224 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -59.1 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -149.46 154.97 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.043 HG12 HG22 ' A' ' 19' ' ' ILE . 30.6 m -123.57 145.47 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.707 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -69.44 -28.83 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.029 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.73 30.4 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.563 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -145.74 17.5 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.61 -154.01 7.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.32 -28.91 32.75 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.538 2.158 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.08 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -108.27 31.38 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.05 -48.38 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.86 59.08 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -139.6 -46.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.767 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -110.39 116.02 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.88 173.66 14.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -51.34 -31.43 21.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.35 -28.37 68.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.663 ' HB3' HD13 ' A' ' 89' ' ' ILE . 2.1 m-20 -116.39 125.87 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -90.84 127.37 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.009 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.746 HG22 HG22 ' A' ' 89' ' ' ILE . 22.0 t -76.02 139.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.806 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -117.65 -37.86 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.3 ttp -142.84 148.56 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 87' ' ' ILE . 28.3 t -135.68 120.54 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.31 32.27 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.26 -25.57 21.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.542 HG21 ' HG2' ' A' ' 77' ' ' GLN . 20.3 t -80.17 138.79 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 m -73.75 137.06 43.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.89 ' HG3' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -113.15 29.88 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.98 23.87 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -178.8 37.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.801 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG23 HD11 ' A' ' 37' ' ' ILE . 20.7 m -141.58 156.86 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -78.3 153.59 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -53.74 -38.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -50.51 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 39.7 t80 -60.2 -35.95 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -53.26 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.579 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.4 -37.79 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.642 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 4.7 pt20 -64.42 -25.6 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.542 ' HG2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -72.02 -50.2 30.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.49 -30.67 66.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -64.44 -27.37 68.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -22.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -51.75 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.82 -26.01 22.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.603 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.64 34.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -177.97 61.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.74 102.28 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.688 ' HB3' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -95.91 139.65 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 61' ' ' VAL . 31.0 mt -130.94 136.76 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.524 ' OG1' HG23 ' A' ' 6' ' ' THR . 61.0 m -98.5 116.58 31.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.746 HG22 HG22 ' A' ' 58' ' ' VAL . 2.8 pp -124.99 159.57 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.806 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.03 148.94 47.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.05 160.34 42.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.53 -57.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.0 mttm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.955 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.74 74.92 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.797 2.331 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 11.3 mt 62.83 125.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 173.41 95.71 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.24 171.13 14.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.02 162.18 18.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.07 15.88 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.8 mm -104.9 119.89 54.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.696 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -102.35 139.34 38.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 25.6 tt0 -112.93 150.29 32.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.38 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -106.63 128.92 54.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 111.499 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -132.37 138.63 47.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 t -111.01 124.09 51.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.59 150.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.96 112.52 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD13 HD12 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -106.29 116.42 31.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -76.33 131.35 39.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -58.05 119.95 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.56 159.06 33.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -59.16 146.85 93.13 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.115 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.55 -31.48 8.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.22 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CG ' HD22 ' A' ' 43' ' ' LEU . 2.1 t80 -165.79 -50.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 -77.44 0.25 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.529 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.789 ' CZ ' HD22 ' A' ' 78' ' ' LEU . 1.7 t80 -59.45 -37.15 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.629 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.19 -20.88 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.746 HG22 ' CG1' ' A' ' 42' ' ' VAL . 1.2 pt -139.05 172.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.64 118.15 25.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 pt -77.37 159.47 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.09 134.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.34 -147.67 19.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.11 118.94 1.93 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.443 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -31.97 67.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.997 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.22 34.93 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -88.29 165.24 29.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -51.71 -33.55 50.12 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.584 2.189 . . . . 0.0 112.236 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.11 153.92 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -127.11 135.38 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -123.56 119.66 30.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -94.72 138.83 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.09 10.16 8.34 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.906 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -179.22 -57.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.704 0.288 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.38 28.66 3.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.03 146.19 29.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.667 HG22 ' HB3' ' A' ' 66' ' ' MET . 1.2 tp -71.85 143.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.3 p -125.93 158.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.015 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.482 ' N ' HG22 ' A' ' 38' ' ' VAL . 3.1 mp -83.34 116.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.7 p -74.73 -65.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -144.08 154.91 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.746 ' CG1' HG22 ' A' ' 19' ' ' ILE . 27.0 m -130.33 150.29 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.629 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -72.6 -30.06 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt 65.68 31.47 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.06 16.81 1.94 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.36 -168.38 11.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.52 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.54 -32.4 43.59 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.581 2.188 . . . . 0.0 112.308 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.659 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -104.18 29.05 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -57.85 -32.1 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.17 26.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.54 -38.4 10.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.767 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 87' ' ' ILE . 5.2 mt -120.95 125.14 46.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.86 173.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -25.52 24.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -58.4 -29.28 65.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.48 -169.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -146.13 121.09 10.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.73 HG22 ' CG2' ' A' ' 89' ' ' ILE . 30.5 t -77.82 129.84 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.72 -7.23 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -159.92 147.07 16.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.923 0.392 . . . . 0.0 111.302 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.494 ' O ' HG13 ' A' ' 61' ' ' VAL . 13.0 p -141.87 120.3 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.834 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t30 56.27 32.23 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.86 -19.49 48.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.93 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.89 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.356 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 143.05 56.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.667 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.0 mmm -117.46 29.69 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.83 12.49 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.25 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t30 178.98 48.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.754 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.44 147.85 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.27 150.63 43.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' O ' HG12 ' A' ' 75' ' ' VAL . 61.2 t60 -53.32 -41.38 65.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -69.27 -36.26 76.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.21 -38.02 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB1' ' CE ' ' A' ' 66' ' ' MET . . . -73.43 -39.89 64.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 71' ' ' HIS . 13.5 p -71.88 -44.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.479 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' HG13 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -63.77 -25.05 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.227 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -72.1 -50.11 30.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.185 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.789 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 pp -72.21 -30.71 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -63.11 -27.34 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -25.18 68.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.205 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 m -53.49 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.088 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.53 -28.14 11.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.691 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.72 30.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t30 175.88 80.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.09 112.05 23.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.003 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.31 138.79 31.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.542 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 18.3 mt -129.42 128.35 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.517 HG22 ' HG2' ' A' ' 4' ' ' GLN . 6.4 m -98.37 128.83 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.73 ' CG2' HG22 ' A' ' 58' ' ' VAL . 2.7 pp -139.63 166.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 1.1 mpp_? -134.04 148.96 51.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.022 0.439 . . . . 0.0 111.252 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -146.93 156.03 42.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.814 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.77 -73.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 pttm . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.422 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.72 -54.51 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.478 2.119 . . . . 0.0 112.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.74 105.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 73.69 157.41 4.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 25.7 p -162.14 30.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 59.42 174.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -122.57 30.53 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 1' ' ' ILE . 9.1 tp -91.66 126.95 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.007 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -96.4 134.7 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER -112.94 152.14 29.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.537 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.57 133.85 51.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.977 0.418 . . . . 0.0 111.187 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -128.16 136.77 51.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.663 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.569 HG23 HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -104.63 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.69 151.97 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 p -116.18 114.63 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.159 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' ' 48' ' ' ALA . 3.8 mt -106.21 115.31 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 47' ' ' PRO . 28.4 p-80 -75.89 125.99 30.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -62.73 122.94 17.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.78 142.35 35.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.49 148.39 53.08 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.489 2.126 . . . . 0.0 112.292 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.11 -59.12 4.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.602 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 43' ' ' LEU . 22.2 m-85 -83.36 -77.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.31 -104.74 0.92 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.761 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.425 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -90.28 -29.71 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.993 -179.714 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.743 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 106.71 -22.8 29.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.381 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.848 HD13 HD12 ' A' ' 39' ' ' ILE . 2.6 pp -135.35 163.86 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -114.13 137.11 52.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.596 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -95.48 145.7 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -138.23 134.01 33.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.21 -149.55 20.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 129.03 2.94 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.383 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -71.51 -27.56 63.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.63 25.42 5.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 55.7 p30 -65.19 161.65 47.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.804 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 27' ' ' ASN . 74.3 Cg_exo -49.79 -27.21 15.02 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.589 2.193 . . . . 0.0 112.46 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -145.32 124.41 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' N ' ' CD1' ' A' ' 30' ' ' PHE . 2.0 p90 -142.37 161.61 37.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.967 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 138.04 33.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.9 m -73.09 154.58 40.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.0 -6.99 12.0 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.867 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -151.41 -55.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.693 0.282 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.2 p 54.03 36.95 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 p -133.86 150.99 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 22' ' ' SER . 4.6 mt -92.06 132.25 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.02 166.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.848 HD12 HD13 ' A' ' 19' ' ' ILE . 27.0 mm -76.13 118.36 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -67.16 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -140.42 153.98 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.782 ' CG1' HG22 ' A' ' 19' ' ' ILE . 26.9 m -128.01 155.19 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.743 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -83.57 -15.58 48.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.304 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 28.3 pttt 45.89 38.04 4.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.81 0.338 . . . . 0.0 111.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.75 22.73 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -139.35 -149.18 5.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.431 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 57.1 Cg_endo -70.7 -28.48 20.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.176 . . . . 0.0 112.417 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' A' ' 19' ' ' ILE . . . -113.53 34.34 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -40.19 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.51 24.21 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.589 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -86.32 -45.37 11.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.724 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD21 ' HB ' ' A' ' 87' ' ' ILE . 3.5 mp -120.91 125.18 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 173.82 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -50.63 -30.85 14.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.89 -29.73 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.54 116.34 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -81.33 122.88 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.756 HG11 ' CE ' ' A' ' 66' ' ' MET . 21.9 t -76.38 132.8 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.609 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . . . -115.67 -43.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.7 ttm -141.84 147.47 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.765 ' O ' HG12 ' A' ' 64' ' ' VAL . 12.3 p -141.95 132.45 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 31.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.02 -23.53 30.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.093 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 61' ' ' VAL . 14.4 p -90.68 140.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.6 t -71.24 136.62 48.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.756 ' CE ' HG11 ' A' ' 58' ' ' VAL . 7.1 mmm -101.87 23.68 11.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 22.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -177.3 36.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.714 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.18 157.74 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -79.76 153.54 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.597 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.3 p80 -56.89 -41.57 78.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -71.01 -36.62 72.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.03 -38.86 69.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.74 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 71' ' ' HIS . 14.9 p -72.0 -46.7 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.587 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.502 ' N ' HG13 ' A' ' 75' ' ' VAL . 1.6 pp0? -58.31 -30.22 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 111.035 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.11 -50.11 30.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.4 pp -71.2 -31.82 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.264 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.653 ' N ' HD12 ' A' ' 78' ' ' LEU . 3.1 tmm_? -66.98 -26.47 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.81 -17.29 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -51.22 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.71 -30.43 9.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.631 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.46 33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.734 0.302 . . . . 0.0 110.972 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.53 67.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.79 102.15 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.93 139.42 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.663 HG12 HG23 ' A' ' 61' ' ' VAL . 22.1 mt -130.81 130.47 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.569 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.53 132.02 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.674 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.0 pp -136.96 167.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.899 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.609 ' CD ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -136.41 143.15 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.345 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' ' CD ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -148.14 136.84 21.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.46 -41.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.893 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.99 118.89 5.95 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.572 2.181 . . . . 0.0 112.301 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 11.4 mt -94.07 -56.84 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -73.86 106.2 1.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 96.2 p -157.45 82.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 60.85 156.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -142.5 30.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.2 mp -104.81 134.59 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -92.81 149.15 21.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.031 0.444 . . . . 0.0 111.117 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -113.05 149.45 33.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.84 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.673 ' HG2' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -107.6 127.3 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.018 0.437 . . . . 0.0 111.4 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -129.15 138.61 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.625 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -104.22 122.36 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.8 148.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 86' ' ' LYS . 47.2 p -113.6 112.55 23.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.987 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.794 HD22 ' HB2' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.3 116.51 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -80.48 126.34 31.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 138.31 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.84 148.94 70.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -51.75 143.63 37.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.42 -49.39 0.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CD2' HD22 ' A' ' 43' ' ' LEU . 81.4 m-85 -134.52 -70.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.84 -84.31 0.37 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.721 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' HD12 ' A' ' 78' ' ' LEU . 1.7 m-85 -69.24 -34.9 75.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.855 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 80.66 0.7 88.18 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.614 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.88 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.31 172.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.979 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.35 118.21 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.419 HD11 ' HB ' ' A' ' 75' ' ' VAL . 2.4 pt -80.83 155.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.34 133.8 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.03 -134.16 5.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.645 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.405 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . 117.68 99.26 2.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.249 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.6 -26.57 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.29 37.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -95.41 167.43 12.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.12 -60.03 0.9 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.557 2.171 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -124.59 129.79 51.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -146.55 161.59 40.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -123.16 146.13 48.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.22 165.39 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.39 12.45 67.35 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -179.5 38.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -24.51 62.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -58.56 138.59 56.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.78 HG22 ' HB3' ' A' ' 66' ' ' MET . 0.8 OUTLIER -74.69 142.29 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 39' ' ' ILE . 16.9 t -129.54 160.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.561 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.6 mp -76.78 119.54 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.171 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -55.28 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.0 154.98 28.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.88 HG12 HG22 ' A' ' 19' ' ' ILE . 32.6 m -126.47 138.46 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.855 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -60.62 -24.73 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.987 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.74 31.46 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.81 14.61 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.725 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.48 -164.62 11.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.392 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.32 -24.65 57.52 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.571 2.181 . . . . 0.0 112.298 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.794 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -109.86 28.0 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.17 27.4 3.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.64 -41.57 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 19' ' ' ILE . 55.3 mt -120.95 102.12 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 173.62 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -49.23 -29.16 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.71 -29.7 70.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.804 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.26 127.98 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.34 133.45 39.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.692 ' CG2' HG23 ' A' ' 37' ' ' ILE . 10.9 m -86.63 126.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.859 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -111.86 -30.19 7.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.393 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.9 ttp -140.58 144.74 36.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 61' ' ' VAL . 10.0 p -137.57 119.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.87 32.24 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.6 4.5 79.78 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.844 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.517 HG21 ' CD ' ' A' ' 77' ' ' GLN . 25.5 t -107.59 137.63 37.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -66.34 143.11 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.78 ' HB3' HG22 ' A' ' 37' ' ' ILE . 6.3 mtp -118.34 26.66 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -120.36 24.22 10.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 179.46 43.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.719 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.56 147.14 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.326 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.49 153.82 41.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.459 ' O ' HG12 ' A' ' 75' ' ' VAL . 18.3 t-80 -49.6 -38.45 31.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -69.63 -37.99 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -38.34 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.85 58.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 72' ' ' ALA . 12.8 p -65.84 -41.07 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' HG13 ' A' ' 75' ' ' VAL . 12.9 pt20 -61.26 -27.63 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 111.112 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.517 ' CD ' HG21 ' A' ' 64' ' ' VAL . 41.1 mm-40 -72.02 -50.13 31.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.218 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' A' ' 17' ' ' PHE . 3.7 pp -72.72 -30.57 64.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.8 m -56.0 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.054 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -29.21 11.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -166.73 30.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.8 p30 176.65 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.06 110.26 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -97.95 136.01 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.985 0.421 . . . . 0.0 111.117 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.723 HD12 ' CD1' ' A' ' 9' ' ' LEU . 3.7 mt -130.84 138.11 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.673 HG22 ' HG2' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -97.98 123.24 41.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.8 pp -122.83 165.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.1 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.03 145.13 43.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 0.0 111.296 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -148.26 158.72 44.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.252 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -156.24 -43.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.37 133.28 47.82 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.575 2.184 . . . . 0.0 112.246 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.48 106.57 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 88.39 -110.21 3.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.3 t -176.1 -57.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -171.11 -172.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 61.21 19.4 10.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.535 HD13 ' C ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER -70.55 119.91 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.508 ' N ' HD13 ' A' ' 1' ' ' ILE . 48.6 p90 -97.69 127.92 43.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 63.3 tt0 -114.9 141.99 47.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.348 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.483 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.0 tt0 -106.88 130.75 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.049 0.452 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -118.86 138.07 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.306 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 88' ' ' THR . 18.1 p -108.62 118.03 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.061 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -119.67 147.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.038 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 m -107.92 113.98 27.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.1 mt -106.25 115.4 30.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -76.85 128.56 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -59.58 128.93 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.92 151.53 44.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.55 148.58 72.95 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.245 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.62 -42.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.929 ' CD1' HD22 ' A' ' 43' ' ' LEU . 35.8 m-85 -117.25 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.48 -88.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.713 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -98.08 -32.65 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.733 0.302 . . . . 0.0 111.179 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.864 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 101.2 -23.71 34.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.69 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.742 HG22 HG12 ' A' ' 42' ' ' VAL . 2.6 pp -131.2 152.93 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 122.53 47.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.5 pp -73.29 155.91 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.83 148.3 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.54 -104.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.49 119.1 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -63.98 -28.22 69.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -116.38 30.48 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -94.22 166.25 15.89 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.03 -16.01 51.6 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.559 2.173 . . . . 0.0 112.44 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -104.38 138.32 40.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -129.09 150.85 50.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.0 143.33 30.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.96 127.08 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.98 -7.01 12.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.842 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -148.94 -52.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.775 0.321 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 p 49.54 28.38 2.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 p -120.13 170.71 9.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.676 HG22 ' HB3' ' A' ' 66' ' ' MET . 3.4 tp -75.99 143.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 p -136.1 153.35 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.96 121.99 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.13 -55.18 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.74 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.87 150.55 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 19' ' ' ILE . 28.1 m -131.72 147.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.929 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -74.43 -28.39 61.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.002 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt 65.13 30.18 11.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.632 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.62 16.41 2.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.675 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -168.24 11.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.518 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.74 -30.62 47.27 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.653 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -106.83 29.19 7.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -41.7 80.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.19 43.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.59 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.85 -40.0 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 HD13 ' A' ' 87' ' ' ILE . 3.9 mt -120.92 106.71 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -129.94 171.84 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.77 -30.78 6.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -32.04 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.583 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -97.75 105.45 17.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.671 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.52 122.04 24.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.757 ' HA ' HG22 ' A' ' 89' ' ' ILE . 33.5 t -75.98 127.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.562 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . . . -117.14 -25.34 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.546 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.406 ' HB3' ' OG1' ' A' ' 88' ' ' THR . 8.6 ttm -150.3 149.01 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 87' ' ' ILE . 21.9 t -141.97 120.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 t30 54.64 32.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.18 -26.17 18.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.763 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.454 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.4 t -83.75 128.62 38.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 143.02 58.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.676 ' HB3' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -121.14 27.95 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.09 12.89 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 177.66 55.32 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.68 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -131.54 153.43 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.05 153.64 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.89 ' O ' HG23 ' A' ' 75' ' ' VAL . 42.2 p-80 -51.19 -46.8 62.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.5 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.75 -36.18 83.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HA ' ' HE3' ' A' ' 66' ' ' MET . . . -73.2 -45.41 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 71' ' ' HIS . 28.9 t -60.29 -50.69 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -58.93 -26.94 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.096 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.454 ' CG ' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -72.03 -50.25 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.031 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.62 -30.6 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.747 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.39 -24.9 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -22.18 66.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.155 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.3 m -56.62 -73.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.15 -34.52 5.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.598 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 31.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 p30 179.69 74.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.22 107.17 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -92.75 138.69 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.509 HG23 HG22 ' A' ' 61' ' ' VAL . 4.0 mp -130.61 126.24 60.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.529 ' CG2' HG22 ' A' ' 6' ' ' THR . 4.8 p -98.46 126.82 44.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -135.24 167.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.562 ' NH1' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -133.2 145.9 51.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.301 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.16 134.25 21.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.605 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.43 -49.66 1.08 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.003 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.857 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 81.81 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.613 2.209 . . . . 0.0 112.307 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.96 -50.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 135.99 51.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.89 -176.04 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.54 -170.82 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -117.17 -22.11 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.401 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 1' ' ' ILE . 15.8 tt -111.93 119.94 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.75 0.31 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -109.57 151.65 26.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.257 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 16.3 pt-20 -115.43 154.24 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.406 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.584 ' HG2' HG22 ' A' ' 88' ' ' THR . 8.0 tt0 -107.4 127.16 53.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.135 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.404 ' CE1' ' HG3' ' A' ' 3' ' ' GLU . 24.6 m80 -130.78 138.59 49.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 6' ' ' THR . 8.5 t -115.66 116.97 29.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 t -118.29 150.01 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 4.5 m -102.53 119.06 38.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.863 HD13 ' HB2' ' A' ' 48' ' ' ALA . 35.0 mt -106.09 114.89 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.41 119.22 10.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.79 120.3 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.86 155.54 42.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.59 157.73 4.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.606 2.204 . . . . 0.0 112.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.57 2.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -150.38 -64.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 0.0 110.824 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -77.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.683 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.761 ' CD1' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -60.04 -37.02 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.762 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.96 -17.28 56.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.852 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.896 HG22 ' CG1' ' A' ' 42' ' ' VAL . 2.1 pp -138.03 171.28 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -119.91 148.0 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.711 HD11 HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.61 149.99 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 133.97 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.14 -125.07 3.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.56 111.81 3.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.636 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -71.54 -31.12 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.58 39.05 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.61 171.04 9.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -51.63 -27.12 24.76 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.569 2.179 . . . . 0.0 112.279 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -119.54 159.48 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.25 150.17 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -152.73 141.33 20.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.5 m -106.16 137.22 44.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.23 13.08 37.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.652 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -177.37 45.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 0.0 110.751 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -92.6 43.76 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.167 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 67' ' ' ASP . 59.7 p -117.8 138.19 52.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.667 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.802 HG22 ' HB3' ' A' ' 66' ' ' MET . 0.7 OUTLIER -74.57 141.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 111.224 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.9 p -123.69 161.69 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.715 HD12 HD13 ' A' ' 19' ' ' ILE . 27.1 mm -73.77 119.16 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.074 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -66.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.497 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -142.66 154.99 44.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.896 ' CG1' HG22 ' A' ' 19' ' ' ILE . 26.7 m -132.79 150.2 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.762 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -75.69 -30.05 59.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 tttt 63.61 32.06 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.59 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -145.7 17.18 1.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.666 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -153.57 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 -30.54 22.34 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.617 2.211 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.863 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -104.81 28.99 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.229 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.56 -44.72 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.78 40.01 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.577 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -111.17 -39.88 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.663 HD12 HG12 ' A' ' 19' ' ' ILE . 11.2 mt -120.66 106.39 11.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 173.64 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -30.57 47.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -32.04 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.67 118.83 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 -84.46 126.78 33.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.66 HG13 HG23 ' A' ' 37' ' ' ILE . 9.3 p -91.85 133.54 33.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.01 5.17 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.885 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -160.13 141.49 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 111.205 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.493 ' O ' HG13 ' A' ' 61' ' ' VAL . 9.5 p -142.0 119.32 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.3 32.32 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.36 -25.94 22.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.688 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.521 HG21 ' HG2' ' A' ' 77' ' ' GLN . 21.8 t -78.4 145.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.224 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.2 m -77.03 143.07 39.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.802 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.4 mtt -116.8 27.98 8.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 36' ' ' SER . 20.2 t70 -119.09 23.21 11.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -180.0 38.76 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.45 146.66 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.69 153.7 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.903 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.3 p-80 -54.32 -46.35 72.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.67 90.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.4 -36.83 83.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.02 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 71' ' ' HIS . 30.6 t -72.03 -53.08 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -29.68 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 64' ' ' VAL . 1.5 mt-30 -72.03 -50.16 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 79' ' ' ARG . 3.9 pp -72.75 -30.99 64.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.87 ' N ' HD12 ' A' ' 78' ' ' LEU . 24.6 ttt-85 -66.87 -25.04 66.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -25.95 68.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.3 m -54.3 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.71 -18.76 51.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.835 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -168.68 31.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.726 0.298 . . . . 0.0 110.875 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 174.65 73.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.86 105.65 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 5.9 pttt -95.67 139.6 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.647 HD13 HD12 ' A' ' 9' ' ' LEU . 3.8 mp -130.83 132.83 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.037 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.584 HG22 ' HG2' ' A' ' 4' ' ' GLN . 6.0 m -98.46 118.63 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.578 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.6 pp -126.15 163.55 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.3 138.68 45.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 152.46 37.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.638 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -127.93 -51.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 tttt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.929 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.52 -28.13 26.77 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.544 2.163 . . . . 0.0 112.3 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.5 tp -135.54 -52.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -90.27 -147.1 17.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.46 118.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 61.28 -176.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 3.3 m170 62.55 34.3 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.0 mt -114.24 119.62 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -110.83 132.53 54.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.04 0.448 . . . . 0.0 111.483 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -120.59 145.21 47.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.143 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -107.54 127.3 53.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.898 0.38 . . . . 0.0 111.325 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -133.02 138.58 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.845 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 t -116.5 121.88 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.17 147.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -102.69 113.72 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD12 ' CD1' ' A' ' 87' ' ' ILE . 2.6 mt -106.12 115.88 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -78.9 117.25 19.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -58.89 134.12 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -119.5 159.36 46.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 29.8 Cg_endo -63.04 142.13 86.39 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.644 2.229 . . . . 0.0 112.248 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.07 -39.28 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -138.45 -71.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 -106.91 1.74 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.579 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -60.05 -37.19 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.6 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.62 -22.19 28.98 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.062 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.75 HG21 ' HB2' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -121.14 164.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.38 118.03 33.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.603 HD11 HG21 ' A' ' 37' ' ' ILE . 2.4 tt -80.23 131.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.81 133.98 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.58 24.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.661 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 138.4 98.42 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.381 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -71.9 -27.13 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.521 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' CB ' ' HB3' ' A' ' 70' ' ' GLU . 47.8 t0 -58.12 -30.76 66.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.595 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 0.5 OUTLIER 166.66 -49.78 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.299 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 27' ' ' ASN . 40.6 Cg_exo -36.85 -31.5 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.044 2.496 . . . . 0.0 113.695 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 140.08 31.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.915 0.388 . . . . 0.0 111.252 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -146.53 134.97 21.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -151.06 140.31 21.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.9 t -89.74 117.65 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.04 -7.04 11.94 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.81 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -58.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.732 0.301 . . . . 0.0 110.81 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.19 30.05 15.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.031 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m -104.94 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.611 HD11 HG23 ' A' ' 69' ' ' VAL . 40.2 mt -83.97 148.74 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.02 164.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.5 HD13 ' C ' ' A' ' 52' ' ' LEU . 4.4 mt -90.44 118.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -65.49 -66.83 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.95 154.28 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 19' ' ' ILE . 27.8 m -120.7 134.78 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.363 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -59.89 -28.32 67.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.889 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 68.21 30.2 5.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.788 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.643 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -147.62 17.58 1.45 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.721 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.37 -171.76 13.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 -27.06 45.34 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.599 2.199 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.668 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -114.72 33.97 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.313 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.71 -47.24 80.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.67 32.82 2.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -105.11 -44.92 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.75 ' HB2' HG21 ' A' ' 19' ' ' ILE . 4.2 mt -117.28 107.13 14.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -129.67 173.72 10.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -49.62 -31.85 11.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.45 -30.17 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.24 106.34 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.748 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -78.06 123.78 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.729 ' HA ' HG22 ' A' ' 89' ' ' ILE . 12.5 m -75.99 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.79 -35.56 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.42 150.95 38.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 61' ' ' VAL . 11.6 p -141.97 119.28 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.43 32.34 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.4 4.51 80.49 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -112.82 127.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -57.11 142.44 42.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.611 ' SD ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -117.87 36.9 4.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.12 27.81 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -179.93 41.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 37' ' ' ILE . 31.0 m -142.91 149.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.338 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.773 ' OE1' ' HB3' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -73.77 153.72 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.789 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 75' ' ' VAL . 34.9 p80 -49.71 -44.45 48.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.773 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . . . -56.41 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.542 ' CE1' ' NE2' ' A' ' 77' ' ' GLN . 8.1 t80 -61.57 -34.88 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.6 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.4 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 71' ' ' HIS . 34.6 t -63.77 -47.31 91.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.391 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -59.87 -24.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.061 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.542 ' NE2' ' CE1' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -71.97 -50.35 29.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.158 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.7 -30.74 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.82 -26.16 61.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -63.74 -27.2 69.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -58.35 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.1 -29.5 9.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -168.81 31.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 178.15 72.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.24 113.3 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 139.52 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.05 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.709 ' CD1' HD12 ' A' ' 9' ' ' LEU . 3.1 mp -130.93 130.18 63.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.173 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -98.53 118.89 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -129.44 165.05 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.295 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.0 146.82 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.3 137.85 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -130.48 -39.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.068 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.15 -30.42 16.13 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.307 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.89 -46.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -127.6 153.33 19.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.98 23.62 9.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 53.55 26.16 5.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.189 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -149.79 21.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.189 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 28.3 mm -114.19 119.64 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.303 . . . . 0.0 110.842 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.417 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -123.65 152.53 41.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.256 0.55 . . . . 0.0 111.652 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.8 mm-40 -112.61 154.22 26.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.973 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -107.21 127.26 53.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 111.495 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.18 138.53 54.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.468 HG22 HG23 ' A' ' 88' ' ' THR . 21.6 p -114.11 115.58 27.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.7 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.52 150.14 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 8' ' ' THR . 9.9 t -107.96 114.28 28.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.34 113.1 26.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -76.04 124.56 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -58.19 140.98 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.31 147.94 46.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.62 146.14 45.07 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.533 2.155 . . . . 0.0 112.268 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.61 -60.31 4.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.597 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.94 ' CD1' HD13 ' A' ' 43' ' ' LEU . 35.7 m-85 -82.26 -69.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.43 -81.89 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.681 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 3.4 t80 -93.85 -37.17 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.21 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.709 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 93.82 -26.29 17.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.649 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.018 HG22 HG12 ' A' ' 42' ' ' VAL . 1.1 pt -133.42 172.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.22 118.02 25.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.821 HD11 HG22 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -79.09 145.53 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.35 141.91 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.32 -157.59 24.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.43 98.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -40.09 70.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.88 34.0 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -98.58 166.27 13.54 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.22 -23.3 22.59 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.604 2.203 . . . . 0.0 112.384 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -104.42 151.2 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -126.52 146.99 49.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -144.95 117.49 8.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -92.09 116.82 29.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.99 12.53 6.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -145.12 -73.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.976 0.417 . . . . 0.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.0 p 49.4 30.38 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.227 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p -139.59 153.14 47.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.05 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 mm -82.89 137.41 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 39' ' ' ILE . 10.0 p -133.93 158.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' N ' HG22 ' A' ' 38' ' ' VAL . 23.4 mm -75.8 118.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -66.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.81 154.96 51.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.018 HG12 HG22 ' A' ' 19' ' ' ILE . 35.8 m -136.03 144.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.349 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.94 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.39 -27.24 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' A' ' 42' ' ' VAL . 1.0 OUTLIER 63.05 32.69 15.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.441 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.04 14.8 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.726 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.05 -166.72 11.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.353 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -55.76 -32.39 84.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 0.0 112.304 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.456 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -101.96 26.85 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.366 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -42.7 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.22 33.11 1.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -105.92 -35.19 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 19' ' ' ILE . 5.1 mp -120.06 117.05 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 pm0 -143.36 173.76 11.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.91 -31.93 19.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.25 -30.88 71.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.692 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 2.3 m-20 -97.9 103.33 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.735 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 121.24 22.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 89' ' ' ILE . 29.1 t -77.47 126.79 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -112.87 -26.78 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.409 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 ttm -147.9 153.71 39.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.853 HG23 ' CD1' ' A' ' 87' ' ' ILE . 11.6 p -142.0 119.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.04 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.34 32.27 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -26.18 20.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.642 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -85.7 127.39 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.99 139.52 54.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.708 ' CE ' ' HB1' ' A' ' 74' ' ' ALA . 1.1 mtt -110.84 29.7 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -120.79 26.39 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -179.42 38.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.39 144.01 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.272 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.608 ' OE2' ' HB3' ' A' ' 72' ' ' ALA . 2.8 pt-20 -70.84 153.84 42.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.8 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -45.62 -51.49 12.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.672 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HB3' ' OE2' ' A' ' 70' ' ' GLU . . . -55.09 -50.65 68.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.493 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.429 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 20.9 t80 -60.23 -33.7 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB1' ' CE ' ' A' ' 66' ' ' MET . . . -73.24 -38.22 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.438 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 21' ' ' ILE . 18.1 t -71.95 -44.5 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.513 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -65.49 -25.24 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.085 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -71.96 -50.27 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 3.6 pp -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -24.82 65.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . 37.0 m -56.72 -81.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.52 -28.92 9.02 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.779 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.95 29.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.21 80.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 81' ' ' SER . . . -113.79 111.14 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 87' ' ' ILE . 2.1 pttp -94.76 139.52 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.672 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.853 ' CD1' HG23 ' A' ' 61' ' ' VAL . 23.6 mm -128.46 134.87 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 HG22 ' A' ' 6' ' ' THR . 31.5 m -98.31 114.86 27.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.357 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.811 HD13 ' HD2' ' A' ' 91' ' ' ARG . 2.7 pp -124.48 164.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.246 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.54 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.06 148.76 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.254 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.811 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -138.09 160.19 40.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.817 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 2' ' ' TRP . 12.0 pttt -148.67 -47.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 tttm . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.924 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.98 -37.86 68.32 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.536 2.157 . . . . 0.0 112.258 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -162.02 143.25 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -114.63 -179.89 18.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.444 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.93 177.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -168.82 126.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -143.27 25.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.1 mm -89.29 119.87 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.423 ' HA ' ' HB3' ' A' ' 92' ' ' LYS . 21.5 p-90 -99.77 141.86 32.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 17.1 mt-10 -117.67 153.94 32.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.575 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -107.74 133.1 52.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.05 138.19 46.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.002 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' OG1' ' A' ' 88' ' ' THR . 58.0 p -112.22 125.79 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.25 150.9 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 86' ' ' LYS . 0.7 OUTLIER -105.77 115.19 29.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.819 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -106.06 114.07 27.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 129.87 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -59.91 124.05 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.86 159.15 33.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 30.8 Cg_endo -63.91 151.08 86.82 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.542 2.161 . . . . 0.0 112.156 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.54 -45.87 2.0 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.376 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.723 ' CD2' HD22 ' A' ' 43' ' ' LEU . 34.4 m-85 -133.76 -69.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.671 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.51 -87.76 0.43 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.907 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.625 ' CD2' HD12 ' A' ' 78' ' ' LEU . 5.2 m-85 -61.79 -37.08 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.701 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 92.03 -23.7 25.24 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.694 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.011 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -133.08 172.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.91 124.05 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.45 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.9 pp -77.86 156.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.142 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -140.37 141.92 35.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.64 -156.19 20.91 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 144.36 109.75 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -71.54 -27.87 63.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.247 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.5 t0 -100.74 31.4 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -80.01 163.16 59.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.738 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.45 -26.05 11.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.465 2.11 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -117.6 159.62 22.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.776 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -126.55 135.19 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -140.75 129.76 23.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -99.42 130.15 45.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.17 -7.09 32.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.858 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -153.12 38.56 0.5 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 67' ' ' ASP . 3.1 t -84.24 2.4 40.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.456 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 t -78.4 139.6 38.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 22' ' ' SER . 31.1 mm -71.79 140.18 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.05 163.06 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.5 mm -78.36 110.1 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.9 t -67.41 -69.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -148.49 154.93 40.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.011 HG12 HG22 ' A' ' 19' ' ' ILE . 26.9 m -128.14 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.253 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.723 HD22 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.18 -29.77 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.874 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 65.39 31.87 10.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.582 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -149.19 19.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.598 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.63 -151.84 7.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.02 -26.18 21.96 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.576 2.184 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.546 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -114.3 34.44 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.22 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.22 -34.58 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.25 28.08 2.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -105.58 -39.6 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.814 ' HB2' HG21 ' A' ' 19' ' ' ILE . 33.9 mt -120.97 122.67 40.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.22 173.75 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.04 -33.3 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -65.92 -30.92 71.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.6 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -95.09 105.94 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -78.7 123.11 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 37' ' ' ILE . 7.9 p -82.74 131.57 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -114.12 -26.19 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.35 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.5 ttm -151.07 146.46 26.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.873 HG13 ' CD1' ' A' ' 87' ' ' ILE . 69.5 t -134.49 119.57 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.5 t30 55.51 32.22 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.49 78.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.027 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.583 HG21 ' NE2' ' A' ' 77' ' ' GLN . 21.2 t -107.68 126.84 64.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 142.95 45.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.849 ' HG3' HG23 ' A' ' 61' ' ' VAL . 14.8 mmt -120.77 26.64 8.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' THR . 4.1 t0 -94.48 -13.72 25.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -162.73 64.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.78 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -135.17 148.38 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.029 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 6.0 pt-20 -77.4 146.67 36.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.027 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 75' ' ' VAL . 18.0 p-80 -46.08 -48.29 17.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.434 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -63.89 -40.32 96.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.686 179.774 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.45 ' HB3' HD13 ' A' ' 21' ' ' ILE . . . -65.15 -52.14 56.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 71' ' ' HIS . 12.7 t -57.8 -48.1 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.338 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 13.3 pt20 -59.83 -24.85 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.583 ' NE2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -66.96 -50.47 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.912 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -72.79 -30.67 64.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.638 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -31.66 72.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -66.4 -27.17 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -54.27 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.82 -38.64 3.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.682 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.69 32.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.975 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -179.17 71.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.47 109.97 21.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -90.71 138.7 31.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.873 ' CD1' HG13 ' A' ' 61' ' ' VAL . 20.2 mm -128.12 132.34 68.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 6' ' ' THR . 55.4 m -98.41 114.68 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.704 HG21 HD22 ' A' ' 52' ' ' LEU . 2.8 pp -126.04 159.47 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.383 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.78 137.91 43.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 160.25 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -140.99 -45.64 0.39 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.053 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.11 -19.56 39.06 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.604 2.203 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 9.8 mt 63.3 124.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -149.88 36.53 0.97 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 21.4 p -67.44 110.59 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -76.35 135.75 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -137.07 43.71 2.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 21.8 pt -100.76 125.12 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -115.86 152.08 34.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.681 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.9 mm-40 -126.62 150.84 48.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.525 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.664 ' HG2' HG22 ' A' ' 88' ' ' THR . 50.2 tt0 -106.6 126.87 52.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.479 . . . . 0.0 111.448 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -133.39 139.16 46.62 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.954 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.788 HG23 ' OG1' ' A' ' 88' ' ' THR . 0.3 OUTLIER -105.49 115.33 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.026 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.85 140.63 40.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.335 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 1.7 m -95.85 111.96 23.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.05 115.9 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -76.32 125.54 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 15.8 mtp-105 -54.93 130.46 41.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -117.65 159.1 43.54 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 38.9 Cg_endo -66.48 151.31 83.32 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.617 2.211 . . . . 0.0 112.241 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.63 12.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.426 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.939 ' CD2' HD13 ' A' ' 43' ' ' LEU . 97.2 m-85 -152.48 -60.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.57 -98.17 0.99 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.708 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.695 ' CE1' HD12 ' A' ' 78' ' ' LEU . 34.3 m-85 -59.56 -36.92 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 96.9 -14.74 63.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.825 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.144 HG22 HG12 ' A' ' 42' ' ' VAL . 1.8 pp -140.56 168.7 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 111.299 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.21 128.32 56.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.4 mp -78.04 145.43 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 135.17 25.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.37 -151.99 19.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.76 123.19 2.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -36.55 70.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -75.54 -20.65 58.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.9 159.08 3.98 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.104 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -61.75 -14.7 37.74 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.742 2.295 . . . . 0.0 112.626 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.29 124.55 49.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.989 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -146.61 149.59 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -156.67 128.05 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.07 122.36 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.16 -7.05 40.32 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.807 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -156.22 43.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.39 35.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.65 150.12 21.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.77 148.18 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.4 t -139.1 158.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.7 mp -83.22 120.0 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -68.98 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.45 155.02 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.748 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.144 HG12 HG22 ' A' ' 19' ' ' ILE . 36.0 m -125.21 144.84 33.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 111.404 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.939 HD13 ' CD2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -70.41 -30.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.21 31.69 6.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.809 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.97 16.81 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.743 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.33 -170.93 12.4 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.445 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.63 -28.92 39.11 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.588 2.192 . . . . 0.0 112.357 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -104.91 26.83 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.299 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -42.1 88.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.6 39.99 1.47 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.598 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.0 -42.7 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.778 HD12 HG12 ' A' ' 19' ' ' ILE . 11.3 mt -112.69 114.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.98 173.73 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.88 -29.07 4.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -32.06 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.703 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.518 ' HB3' HD13 ' A' ' 89' ' ' ILE . 1.4 m-20 -97.08 93.52 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -66.15 126.57 29.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.812 ' HA ' HG22 ' A' ' 89' ' ' ILE . 21.4 t -80.31 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . . . -113.22 -33.58 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.286 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 ttp -152.88 155.75 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.877 HG12 HG23 ' A' ' 87' ' ' ILE . 5.1 m -141.45 119.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 51.48 32.4 8.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.43 -26.28 22.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.582 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.754 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.3 t -77.97 125.11 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -61.48 139.57 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.504 ' HE1' ' HB1' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -109.58 31.29 5.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.24 18.32 13.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.65 54.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -142.9 148.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 4.6 pt-20 -82.34 153.69 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -46.79 -38.41 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.564 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.85 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.0 m-85 -61.31 -33.82 74.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.508 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -71.95 -52.98 14.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.462 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.65 -40.48 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.42 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 14.5 pt20 -66.94 -27.75 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.148 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.754 ' CG ' HG21 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -70.52 -50.25 39.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.055 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD12 ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -72.83 -30.69 64.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -67.48 -27.24 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -63.88 -23.77 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -58.58 -66.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.0 -37.1 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -168.79 31.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -179.94 72.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.79 119.9 39.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 1.7 ptmt -96.15 135.5 37.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG12 ' A' ' 61' ' ' VAL . 30.8 mt -130.71 132.86 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.2 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.788 ' OG1' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.54 118.55 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.203 179.482 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.812 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.7 pp -134.26 162.62 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.609 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.681 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.79 143.94 51.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.399 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.16 160.25 43.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.044 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -123.84 -47.22 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.74 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.037 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.23 -27.98 32.29 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.604 2.202 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.61 153.57 20.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 151.34 -121.6 1.24 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.2 p -86.68 83.99 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.52 86.25 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 27.44 9.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 34.4 pt -91.53 131.48 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.982 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CG ' ' HG2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -92.96 140.81 29.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.548 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 3.9 tt0 -112.85 135.16 53.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.306 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.463 ' HB2' ' HG2' ' A' ' 90' ' ' ARG . 1.6 tt0 -106.55 132.39 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.159 0.504 . . . . 0.0 111.621 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -132.99 138.55 46.88 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.48 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 122.76 48.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 142.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.58 116.42 31.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -103.56 109.54 21.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.93 110.7 2.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.003 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.71 120.63 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.6 158.63 34.97 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 61.4 Cg_endo -73.09 147.12 42.39 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.97 -28.25 13.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.555 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.49 ' CD1' HD13 ' A' ' 43' ' ' LEU . 74.1 m-85 -135.17 -61.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.07 -95.52 1.12 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.11 -36.69 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.933 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.605 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 85.9 -1.21 87.95 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.976 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 52' ' ' LEU . 2.3 pt -126.8 156.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 111.334 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 41' ' ' ASP . . . -122.45 118.14 27.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 pp -76.51 151.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.69 133.85 29.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.38 -145.25 15.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.418 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 112.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -71.64 -27.48 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 111.21 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -98.97 40.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.047 -179.821 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -91.8 143.08 27.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.34 -26.75 28.59 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.415 2.077 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.61 159.53 17.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -126.49 145.48 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.78 146.05 40.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.971 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -99.29 128.08 45.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.66 13.0 55.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.656 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -163.72 46.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 110.624 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -91.24 31.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.241 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.8 p -129.86 -172.04 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.579 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 66' ' ' MET . 4.7 mp -115.73 113.95 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.31 166.15 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.6 mm -75.72 119.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -47.15 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m-20 -152.27 154.86 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG12 HG22 ' A' ' 19' ' ' ILE . 36.0 m -132.41 134.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.605 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -56.87 -26.38 58.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 68.52 30.25 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.92 14.3 2.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.673 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.4 -175.04 14.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.37 -25.87 25.89 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.629 2.22 . . . . 0.0 112.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.579 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -115.72 33.18 5.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.255 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -55.2 -41.25 71.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.14 28.36 2.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -98.93 -37.63 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.734 ' HB2' HG21 ' A' ' 19' ' ' ILE . 1.9 mt -118.62 127.91 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.0 173.68 11.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.9 -30.02 44.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.6 -31.56 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.41 113.8 25.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 118.35 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 89' ' ' ILE . 12.2 t -82.02 128.71 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB2' HH11 ' A' ' 90' ' ' ARG . . . -113.5 -32.14 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.313 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.2 ttm -145.64 147.9 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 111.244 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' HG12 ' A' ' 64' ' ' VAL . 60.9 t -140.19 119.31 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t30 53.64 31.85 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.361 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.77 -26.25 24.81 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.381 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 61' ' ' VAL . 12.0 p -86.23 145.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 117.008 0.404 . . . . 0.0 111.542 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -76.44 143.06 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.596 ' CG ' HG23 ' A' ' 61' ' ' VAL . 15.2 mmt -108.95 28.73 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.72 21.73 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -179.34 38.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.404 ' CA ' ' HG2' ' A' ' 25' ' ' ARG . 30.7 m -128.53 147.88 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.11 153.63 39.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 75' ' ' VAL . 59.4 t-80 -49.84 -55.15 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.45 92.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -36.7 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.31 -46.65 48.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 71' ' ' HIS . 21.2 t -58.28 -42.47 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.279 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.02 -27.99 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.646 ' HG3' HG11 ' A' ' 64' ' ' VAL . 10.2 mm100 -69.73 -50.16 46.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD13 ' CD2' ' A' ' 17' ' ' PHE . 3.5 pp -72.67 -31.2 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.771 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -67.61 -24.87 65.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -23.91 67.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.226 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.1 m -57.48 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.713 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.95 -28.7 10.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.662 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -167.19 32.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.81 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.13 76.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.28 113.59 26.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' ' 87' ' ' ILE . 9.5 pttt -95.7 139.51 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.749 ' CD1' HG13 ' A' ' 61' ' ' VAL . 20.6 mm -124.83 129.35 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.256 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 4' ' ' GLN . 0.5 OUTLIER -98.52 121.8 40.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.725 HG22 HG22 ' A' ' 58' ' ' VAL . 2.8 pp -134.18 159.68 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -135.91 139.68 43.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.43 . . . . 0.0 111.5 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.23 147.3 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HG2' ' CG ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -143.47 -40.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.301 179.599 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.186 -0.911 . . . . 0.0 111.076 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.42 131.19 19.82 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.625 2.217 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 2.1 mt 60.55 32.15 20.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -154.78 -169.64 19.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 66.9 m -83.1 155.61 23.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.11 -172.4 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 61.36 53.36 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 27.0 mm -86.98 125.74 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.6 p90 -118.6 150.81 39.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.418 . . . . 0.0 111.209 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -112.96 154.19 26.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.475 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -107.4 127.15 53.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 111.01 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -126.39 138.52 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 88' ' ' THR . 20.3 p -114.74 120.7 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.74 152.75 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.22 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 86' ' ' LYS . 42.9 p -111.07 116.07 30.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.2 mt -106.07 115.84 30.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.036 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -77.21 120.27 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -58.76 121.68 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -113.43 159.21 36.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 15.3 Cg_endo -57.14 142.14 94.37 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.612 2.208 . . . . 0.0 112.145 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.56 -28.94 11.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.389 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.792 ' CG ' HD22 ' A' ' 43' ' ' LEU . 2.4 m-85 -160.26 -75.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.328 . . . . 0.0 110.81 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.16 -84.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.702 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 1.2 t80 -59.69 -36.83 77.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.581 ' HA3' ' HB3' ' A' ' 48' ' ' ALA . . . 93.65 -22.46 35.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.709 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.848 HG22 HG12 ' A' ' 42' ' ' VAL . 2.3 pp -139.33 172.51 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.78 119.17 27.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.504 HD11 HG22 ' A' ' 75' ' ' VAL . 1.6 pt -77.75 166.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 134.02 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' HD12 ' A' ' 37' ' ' ILE . . . 151.52 -137.22 5.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.55 107.52 1.43 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -21.47 66.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.187 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.23 28.84 3.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -79.64 144.91 61.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -50.66 -25.77 15.69 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.475 2.116 . . . . 0.0 112.318 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -127.42 126.76 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 4.2 p90 -131.76 159.79 37.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -144.79 143.72 30.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -80.57 130.66 35.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.82 13.08 28.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.76 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -173.91 44.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 31' ' ' GLN . 3.2 p -96.54 34.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 p -114.69 150.07 35.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.767 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.486 HD12 ' HA3' ' A' ' 23' ' ' GLY . 1.6 tp -71.71 145.87 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.9 t -133.36 159.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.771 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.478 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.0 pp -77.72 121.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 0.0 111.298 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.05 -61.26 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -147.72 154.48 40.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.848 HG12 HG22 ' A' ' 19' ' ' ILE . 29.6 m -128.72 155.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.792 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -82.89 -31.18 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HG2' HG23 ' A' ' 42' ' ' VAL . 3.7 mttm 63.29 33.39 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -143.8 15.07 2.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.709 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.63 -157.0 8.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.4 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.21 -25.54 36.88 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.53 2.154 . . . . 0.0 112.406 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.822 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -107.37 28.69 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -37.29 86.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.66 41.94 1.05 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.539 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -40.38 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.601 HD21 ' HB ' ' A' ' 87' ' ' ILE . 5.6 mp -118.44 125.77 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -149.0 173.59 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -32.71 3.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -41.29 96.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.696 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -92.78 87.61 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.18 132.03 52.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.669 ' HA ' HG22 ' A' ' 89' ' ' ILE . 23.8 t -82.07 139.03 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -125.26 -42.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -143.49 153.83 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.173 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' ' 61' ' ' VAL . 11.5 p -142.01 123.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.22 32.28 7.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.95 -26.36 19.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.649 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.658 HG21 ' CD ' ' A' ' 77' ' ' GLN . 21.6 t -82.67 122.42 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -67.02 135.95 54.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.784 ' HE3' ' HB1' ' A' ' 74' ' ' ALA . 7.3 mtt -111.33 37.31 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.18 14.31 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -174.04 36.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.742 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 66' ' ' MET . 31.1 m -131.64 147.56 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 153.59 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 75' ' ' VAL . 38.2 t-80 -51.97 -48.99 64.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.17 88.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.93 -37.61 82.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.741 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.784 ' HB1' ' HE3' ' A' ' 66' ' ' MET . . . -73.44 -38.2 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 71' ' ' HIS . 20.8 t -67.33 -38.15 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.499 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -66.94 -28.59 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.658 ' CD ' HG21 ' A' ' 64' ' ' VAL . 80.0 mm-40 -72.13 -50.08 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.38 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 75' ' ' VAL . 1.7 pp -67.84 -46.25 72.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.257 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 78' ' ' LEU . 21.3 ptt180 -66.33 -24.88 66.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -63.76 -24.7 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.074 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 m -54.41 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.56 -38.19 3.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.659 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 31.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -177.5 70.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.415 ' HB1' ' HE1' ' A' ' 17' ' ' PHE . . . -104.4 112.62 25.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.022 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.563 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.18 139.47 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.601 ' HB ' HD21 ' A' ' 52' ' ' LEU . 3.5 mp -128.28 131.71 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.313 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.643 HG23 HG22 ' A' ' 6' ' ' THR . 22.8 m -98.61 118.7 35.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.696 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.6 pp -130.63 162.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.53 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -136.38 146.01 46.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.835 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.01 138.22 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.41 -36.79 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.841 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.92 79.98 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.553 2.168 . . . . 0.0 112.237 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -56.79 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 58.71 106.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.8 t -155.92 -45.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 111.053 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -144.94 -161.05 1.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.743 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 75.74 78.6 0.1 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.4 mm -109.77 123.21 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.717 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -96.8 130.23 44.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.253 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.5 tt0 -118.6 154.27 32.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.278 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.551 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.4 tt0 -106.62 134.55 49.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.094 0.473 . . . . 0.0 111.443 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -133.02 138.79 46.92 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.44 119.15 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.24 152.52 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 9.7 t -110.9 114.02 27.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 48' ' ' ALA . 10.2 mt -106.09 115.68 30.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -77.51 120.4 22.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -57.92 130.68 47.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.65 147.42 38.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.32 157.01 9.66 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.501 2.134 . . . . 0.0 112.28 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.61 -52.19 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.556 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.805 ' CD1' HD13 ' A' ' 43' ' ' LEU . 58.2 m-85 -111.79 -73.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.25 -101.2 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.695 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -64.09 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.556 ' CA ' HD21 ' A' ' 43' ' ' LEU . . . 92.5 -19.9 47.7 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.768 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.995 HG22 HG12 ' A' ' 42' ' ' VAL . 1.5 pt -138.77 172.71 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.335 . . . . 0.0 111.158 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.44 118.12 29.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.575 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -81.99 157.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.98 133.82 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.21 -144.45 10.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.42 89.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' CB ' ' HA ' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -71.62 -34.05 69.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.706 0.288 . . . . 0.0 111.39 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -93.96 39.19 1.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.276 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.54 156.91 38.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.752 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.79 47.45 2.57 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.742 2.295 . . . . 0.0 112.603 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.15 159.04 44.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.747 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.27 135.0 47.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.97 124.53 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.93 128.1 35.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.06 -7.05 32.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.965 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -152.19 33.17 0.52 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.736 0.303 . . . . 0.0 110.98 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -31.41 68.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p -90.27 179.51 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.617 ' N ' HD12 ' A' ' 37' ' ' ILE . 2.5 mp -88.4 113.9 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.68 166.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -84.67 115.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -70.64 -61.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.12 154.87 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.995 HG12 HG22 ' A' ' 19' ' ' ILE . 28.2 m -123.53 148.98 27.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.805 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -75.05 -29.17 60.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.008 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt 65.19 31.24 10.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.49 16.55 2.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.711 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.18 -171.06 12.46 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.78 -30.09 45.35 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.543 2.162 . . . . 0.0 112.4 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -109.44 32.12 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -31.85 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.68 27.07 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.572 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.23 -43.63 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.573 HD22 HG21 ' A' ' 89' ' ' ILE . 10.2 mt -118.6 121.01 39.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.47 173.68 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -51.23 -29.95 15.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -67.61 -29.91 69.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.697 ' HB3' HD13 ' A' ' 89' ' ' ILE . 2.6 m-20 -100.97 116.25 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 134.93 35.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG22 HG22 ' A' ' 89' ' ' ILE . 3.4 t -91.35 131.73 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.993 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.451 ' HB3' ' OE1' ' A' ' 4' ' ' GLN . . . -111.01 -30.19 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -156.2 153.63 29.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 61' ' ' VAL . 11.6 p -141.82 119.34 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.33 32.44 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.17 82.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.874 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.1 t -100.98 126.61 54.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.07 131.71 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.471 ' HE3' ' HB1' ' A' ' 74' ' ' ALA . 12.9 mmt -104.72 25.18 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -124.76 21.44 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 25' ' ' ARG . 15.0 p30 176.11 52.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG21 ' CE ' ' A' ' 66' ' ' MET . 20.3 m -142.82 144.97 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.289 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 153.69 42.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.568 ' O ' HG12 ' A' ' 75' ' ' VAL . 47.4 t-80 -59.17 -38.34 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -70.87 -36.38 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.35 -37.51 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB1' ' HE3' ' A' ' 66' ' ' MET . . . -73.38 -40.25 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.205 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 71' ' ' HIS . 12.2 p -71.98 -46.51 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.585 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' HG13 ' A' ' 75' ' ' VAL . 1.5 pp0? -59.94 -33.46 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -50.02 31.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.2 pp -66.81 -30.52 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.702 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.77 -24.9 63.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.223 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -63.87 -17.2 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.303 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.534 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . 66.7 m -52.14 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.758 0.313 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.18 -40.51 2.52 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 31.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -177.98 70.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HB2' ' CB ' ' A' ' 81' ' ' SER . . . -103.65 109.0 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 2.8 ptmt -94.36 133.49 37.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.757 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 52' ' ' LEU . 2.8 mp -130.8 137.19 56.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.325 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.4 120.72 39.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.249 179.532 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.5 pp -133.48 168.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.39 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.551 ' HG3' ' HA ' ' A' ' 4' ' ' GLN . 0.4 OUTLIER -132.45 138.3 47.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.03 157.32 43.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.709 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -129.23 -43.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.8 tttt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.841 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.129 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.33 149.2 23.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.574 2.183 . . . . 0.0 112.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.15 122.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -64.83 140.52 42.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 70.6 m -140.6 141.61 35.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 111.015 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.69 118.32 31.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -110.32 47.04 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.7 pt -100.28 123.95 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.764 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.5 p90 -109.88 143.45 39.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.077 0.465 . . . . 0.0 111.316 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.421 ' OE2' ' CE1' ' A' ' 5' ' ' HIS . 25.2 tt0 -113.63 154.67 26.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.358 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -107.0 127.13 53.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' CE1' ' OE2' ' A' ' 3' ' ' GLU . 66.8 m-70 -129.23 139.18 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.053 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.627 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -103.71 122.26 44.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.89 153.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.55 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.1 t -122.68 112.46 17.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 87' ' ' ILE . 1.4 mt -105.93 116.71 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -76.38 104.51 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 38.4 mtp180 -47.78 116.59 1.53 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.65 155.75 41.68 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.54 148.67 14.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.665 2.243 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 15' ' ' PHE . . . 94.44 -44.83 2.24 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.552 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 15.8 m-85 -168.22 73.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.309 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -39.83 -54.59 2.92 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.703 ' CE1' HD22 ' A' ' 78' ' ' LEU . 5.9 t80 -70.15 -37.44 75.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.787 0.327 . . . . 0.0 111.057 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 66.97 5.72 34.19 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.265 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.993 HG23 HG12 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -136.49 165.05 29.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 117.111 0.455 . . . . 0.0 110.959 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 19' ' ' ILE . . . -113.52 118.0 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.66 136.54 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.495 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.48 133.91 37.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.71 -98.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 72.78 110.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -66.13 -30.73 71.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.988 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -110.34 33.1 4.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.94 157.22 79.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.32 -26.47 27.51 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.498 2.132 . . . . 0.0 112.37 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -105.1 159.5 15.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.84 147.69 50.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.719 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -150.57 146.0 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 m -112.13 143.16 43.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.02 13.0 75.62 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.752 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -167.54 35.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.36 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -30.33 62.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -60.92 166.29 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' N ' HD12 ' A' ' 37' ' ' ILE . 3.9 mp -87.16 149.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 39' ' ' ILE . 10.9 t -142.2 162.05 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HG22 ' A' ' 19' ' ' ILE . 3.8 mp -81.44 122.19 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -79.39 -51.25 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.14 152.51 7.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.993 HG12 HG23 ' A' ' 19' ' ' ILE . 28.9 m -116.17 136.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.327 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -59.51 -21.22 59.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt 62.36 30.15 17.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.757 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.03 16.68 1.74 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.665 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.9 -154.94 8.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.378 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.11 -26.51 18.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.48 2.12 . . . . 0.0 112.38 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB3' HG13 ' A' ' 19' ' ' ILE . . . -111.09 26.16 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.388 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -51.67 -33.55 34.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.67 53.19 0.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -133.98 -49.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.651 HD23 HG21 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -105.66 124.51 49.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -151.7 173.72 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -54.2 -33.6 58.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.57 -30.3 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.91 119.45 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -83.65 136.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.87 138.93 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.81 -50.07 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.4 ttm -139.08 149.25 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.879 HG22 HG23 ' A' ' 87' ' ' ILE . 25.6 t -135.46 119.36 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.25 32.38 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -26.23 20.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.432 HG21 ' OE1' ' A' ' 77' ' ' GLN . 25.6 t -77.24 139.34 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.039 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.88 138.15 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.6 ' HG3' HG23 ' A' ' 61' ' ' VAL . 23.0 mmm -110.13 35.75 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -105.23 -9.96 17.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.542 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -167.77 68.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.398 . . . . 0.0 111.2 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CA ' ' HG2' ' A' ' 25' ' ' ARG . 27.0 m -142.93 142.25 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 8.3 pt-20 -73.8 147.86 43.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.824 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -43.31 -49.21 6.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.669 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.85 -43.74 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.355 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -68.92 -35.37 76.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.93 -39.89 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.89 -39.54 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.328 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 6.3 pt20 -68.2 -37.06 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' HG21 ' A' ' 64' ' ' VAL . 51.0 mm-40 -60.61 -50.14 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.703 HD22 ' CE1' ' A' ' 17' ' ' PHE . 4.3 pp -72.34 -31.24 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.507 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -64.84 -25.93 68.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -63.87 -26.7 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -54.66 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.11 -30.35 8.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.582 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.19 32.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.26 72.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.37 109.16 21.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -95.0 137.08 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 111.249 -179.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.879 HG23 HG22 ' A' ' 61' ' ' VAL . 4.2 mp -130.79 138.05 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.881 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.627 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.3 115.81 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.651 HG21 HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -126.35 155.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 147.3 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -148.14 156.37 42.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -129.45 -42.88 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.067 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.616 ' C ' HD22 ' A' ' -5' ' ' LEU . 56.0 Cg_endo -70.17 -179.4 3.07 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.57 2.18 . . . . 0.0 112.358 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -5' ' ' LEU . . . . . 0.616 HD22 ' C ' ' A' ' -6' ' ' PRO . 3.5 mm? -116.24 92.26 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -132.07 67.36 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.547 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 3.8 p -91.71 -35.55 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 110.827 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -169.33 148.13 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 60.22 66.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.794 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.6 mt -71.2 123.06 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.439 ' CD1' ' HG2' ' A' ' 92' ' ' LYS . 24.6 m-90 -97.93 140.93 31.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 7.4 mt-10 -112.94 132.97 55.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.019 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.653 ' HG2' HG22 ' A' ' 88' ' ' THR . 16.6 tt0 -106.63 129.25 54.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.16 0.505 . . . . 0.0 111.727 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -132.41 138.69 47.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.783 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -104.57 127.01 52.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.68 153.14 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 2.9 t -108.98 114.59 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.529 HD11 HD11 ' A' ' 52' ' ' LEU . 2.0 mt -106.1 111.65 24.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -58.33 147.99 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -127.68 159.13 67.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 34.5 Cg_endo -64.45 146.74 90.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.53 2.154 . . . . 0.0 112.3 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.56 -47.56 1.9 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -71.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.686 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.95 -94.37 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.62 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -37.22 77.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.082 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 80.55 -8.42 54.56 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.279 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.99 HG22 HG12 ' A' ' 42' ' ' VAL . 1.1 pt -140.46 166.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.997 0.399 . . . . 0.0 111.198 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 118.29 34.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.57 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.9 mp -81.35 135.69 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -133.24 146.02 51.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.35 -146.42 17.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.0 116.88 2.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -29.3 64.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.32 34.0 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 163.28 64.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.774 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -26.78 51.28 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.535 2.157 . . . . 0.0 112.297 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -108.13 157.24 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.51 136.55 52.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -143.56 146.07 33.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 p -100.52 121.88 42.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.53 13.11 27.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.732 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -156.57 29.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.74 0.305 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.0 p -71.37 -19.08 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 p -76.51 161.8 28.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.945 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.913 HD11 HG23 ' A' ' 69' ' ' VAL . 25.8 mt -89.34 143.89 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 39' ' ' ILE . 10.0 p -140.79 158.44 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.493 ' N ' HG22 ' A' ' 38' ' ' VAL . 26.2 mm -78.51 122.06 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.39 154.89 42.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.99 HG12 HG22 ' A' ' 19' ' ' ILE . 34.6 m -129.95 135.64 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.676 HD12 ' H ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -60.3 -26.9 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.997 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tptt 67.32 29.18 7.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.676 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -142.96 13.88 2.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.682 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -121.7 -164.2 12.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.41 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.34 -27.47 85.08 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.634 2.223 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.94 36.43 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.48 -39.16 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.78 35.44 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.446 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -108.47 -37.97 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD11 HD11 ' A' ' 9' ' ' LEU . 55.2 mt -120.86 131.71 54.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.73 173.81 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.57 -30.24 29.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -28.03 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -96.82 116.64 29.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -84.09 114.21 21.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.198 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 89' ' ' ILE . 31.1 t -75.99 130.97 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.62 -15.36 7.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttm -159.02 144.1 15.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.945 0.402 . . . . 0.0 111.517 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 87' ' ' ILE . 85.5 t -140.27 120.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.587 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.68 32.29 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.77 -17.12 56.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.881 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.619 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.3 t -88.1 135.85 24.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -65.36 143.02 58.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.754 ' HG3' HG23 ' A' ' 61' ' ' VAL . 17.8 mmt -121.73 27.48 8.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -114.04 21.81 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.78 39.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.913 HG23 HD11 ' A' ' 37' ' ' ILE . 28.0 m -129.71 158.03 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.61 153.52 40.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.801 ' O ' HG23 ' A' ' 75' ' ' VAL . 32.6 p-80 -54.47 -50.03 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.13 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.52 -39.28 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 71' ' ' HIS . 21.4 t -72.04 -38.99 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.45 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -66.29 -28.0 68.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.619 ' CG ' HG21 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -67.71 -50.34 58.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.78 -31.36 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.519 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.5 ttt-85 -65.48 -28.66 69.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -27.27 69.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.7 m -59.08 -72.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.81 -28.71 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.535 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -166.47 31.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m120 178.97 72.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.49 110.76 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -90.23 134.9 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 61' ' ' VAL . 40.8 mt -130.85 127.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 4' ' ' GLN . 1.4 m -98.47 133.44 42.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.7 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.687 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 pp -139.15 166.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -136.3 137.79 41.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 111.43 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.663 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -146.41 138.06 24.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' HG2' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -124.09 -37.49 2.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.118 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 -168.03 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.577 2.185 . . . . 0.0 112.297 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.07 30.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 58.06 104.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.69 -45.21 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -132.28 149.12 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -158.39 28.13 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.996 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.1 mt -103.36 128.06 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.967 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.425 ' HB3' ' HG2' ' A' ' 92' ' ' LYS . 2.5 p90 -109.99 143.23 40.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -112.98 144.04 43.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.901 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.722 ' HG2' HG22 ' A' ' 88' ' ' THR . 13.8 tt0 -106.95 133.58 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.16 0.505 . . . . 0.0 111.651 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -133.07 139.0 46.92 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.763 HG23 ' OG1' ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.65 119.03 38.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.67 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.32 139.23 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 8' ' ' THR . 11.6 t -95.27 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 48' ' ' ALA . 26.3 mt -106.03 115.21 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -75.58 117.09 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -59.23 128.76 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -119.93 159.15 48.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 32.3 Cg_endo -63.95 142.61 82.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.633 2.222 . . . . 0.0 112.28 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.49 -28.5 15.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.83 ' CG ' HD13 ' A' ' 43' ' ' LEU . 66.7 m-85 -144.47 -69.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.33 -101.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.732 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -59.44 -37.19 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.72 0.295 . . . . 0.0 111.088 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.734 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 87.45 -19.18 33.49 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.098 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.026 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -130.87 172.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.82 131.66 47.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG2' HG21 ' A' ' 37' ' ' ILE . 29.7 mm -79.59 141.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.77 134.01 27.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.37 -135.42 9.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.46 135.92 4.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 3.9 ptt180 -71.54 -27.04 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 111.104 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -100.58 24.47 8.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -88.8 171.21 9.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.57 7.29 4.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.699 2.266 . . . . 0.0 112.998 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -104.29 158.18 16.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.775 0.321 . . . . 0.0 110.794 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.59 140.58 52.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -147.52 117.52 7.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.716 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 t -104.09 124.96 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.17 1.99 12.48 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.851 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.1 -55.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.749 0.309 . . . . 0.0 110.837 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 55.22 41.12 31.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 p -98.54 171.62 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 69' ' ' VAL . 20.5 mm -83.35 155.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.196 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' N ' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -128.6 166.09 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.137 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 mm -87.13 117.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.29 154.88 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.026 HG12 HG22 ' A' ' 19' ' ' ILE . 29.8 m -122.13 143.64 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.83 HD13 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -67.37 -26.82 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.975 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.33 30.65 6.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.44 18.97 1.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.726 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.94 -168.38 11.3 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 9' ' ' LEU . 58.3 Cg_exo -51.56 -28.0 27.21 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.54 2.16 . . . . 0.0 112.328 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -112.11 33.96 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.54 -48.67 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.04 33.36 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.588 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.31 -43.7 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.927 ' HB2' HG21 ' A' ' 19' ' ' ILE . 2.1 mt -120.79 114.21 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.7 173.79 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.31 -30.65 7.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.45 -31.1 71.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.567 ' HB3' HD13 ' A' ' 89' ' ' ILE . 3.9 m-20 -100.05 115.81 30.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.657 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -81.16 120.62 25.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.767 ' HA ' HG22 ' A' ' 89' ' ' ILE . 10.8 p -79.34 130.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.78 -26.54 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -149.74 149.45 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.965 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 87' ' ' ILE . 22.3 t -141.83 119.39 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 58.42 32.36 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 4.38 85.54 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.66 127.94 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.797 0.332 . . . . 0.0 111.06 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.95 143.03 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.475 ' CG ' HG23 ' A' ' 61' ' ' VAL . 23.8 mmt -114.54 30.19 7.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.23 16.98 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -178.96 37.84 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.789 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.628 ' O ' HD11 ' A' ' 37' ' ' ILE . 3.6 t -132.88 153.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.42 148.94 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 72' ' ' ALA . 9.6 p-80 -51.85 -38.32 55.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 71' ' ' HIS . . . -65.03 -40.56 95.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.492 ' HB2' HG12 ' A' ' 69' ' ' VAL . 3.3 m-85 -67.73 -35.96 79.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.36 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.358 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 76' ' ' GLN . 11.8 p -65.29 -42.89 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.352 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 75' ' ' VAL . 11.3 pt20 -60.51 -29.91 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.12 -50.16 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.844 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.1 pp -68.15 -30.69 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.996 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.844 ' N ' HD12 ' A' ' 78' ' ' LEU . 24.0 ttt180 -64.14 -28.65 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -68.01 -22.05 65.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -50.86 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.51 7.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -172.7 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -178.77 64.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.49 108.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -93.78 137.82 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.093 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.744 HD13 HD12 ' A' ' 9' ' ' LEU . 3.8 mp -130.98 129.82 63.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.763 ' OG1' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.46 130.37 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.7 pp -143.1 166.88 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.441 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -129.87 140.88 50.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.94 141.01 24.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.759 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.425 ' HG2' ' HB3' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -144.74 -42.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.8 tttt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.886 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.54 -20.39 35.93 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.565 2.176 . . . . 0.0 112.384 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.28 142.13 37.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.971 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -154.98 -66.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.244 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.33 176.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.876 0.369 . . . . 0.0 111.196 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' -1' ' ' HIS . 0.8 OUTLIER -63.28 -146.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.666 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' -1' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' -2' ' ' ASP . 47.4 m80 65.53 36.99 6.27 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.889 0.376 . . . . 0.0 111.045 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.8 mm -111.86 119.98 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.706 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -101.83 151.7 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.268 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 26.2 mm-40 -122.2 150.41 42.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.283 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.581 ' HG2' HG22 ' A' ' 88' ' ' THR . 7.1 tt0 -106.89 126.9 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.012 0.434 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -129.87 138.77 51.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.649 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.69 ' HB ' HG23 ' A' ' 88' ' ' THR . 11.2 t -108.2 115.11 29.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -113.24 150.26 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 7.1 m -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.8 mt -106.29 116.64 32.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -65.09 116.19 6.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -58.2 145.64 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.972 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.08 136.72 28.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 159.96 6.6 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.451 2.101 . . . . 0.0 112.188 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.93 -54.37 4.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.697 ' CD1' HD22 ' A' ' 43' ' ' LEU . 41.1 m-85 -104.59 -70.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.827 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.76 -96.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.575 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.665 ' CE1' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -98.14 -26.99 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.677 0.275 . . . . 0.0 110.952 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.564 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 114.69 -20.08 15.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.645 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.056 HG22 HG12 ' A' ' 42' ' ' VAL . 2.7 pt -127.97 172.53 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 118.19 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 tt -72.91 133.29 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.429 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -133.57 133.88 42.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.93 -166.4 25.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.88 114.7 0.94 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -35.16 70.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 111.134 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -103.24 40.32 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.05 163.63 18.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.87 -11.82 33.33 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.603 2.202 . . . . 0.0 112.593 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -104.43 159.47 15.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -126.41 144.54 50.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -139.17 133.91 32.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.17 130.13 56.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.98 -6.98 12.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.839 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -156.77 -54.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.775 0.322 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 p 53.19 34.6 17.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 p -128.12 -174.61 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.69 HD12 ' SD ' ' A' ' 66' ' ' MET . 33.4 mt -103.49 138.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.5 p -142.04 161.28 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.525 ' N ' HG22 ' A' ' 38' ' ' VAL . 2.9 mp -74.33 123.61 30.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.976 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -46.57 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.53 154.93 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.056 HG12 HG22 ' A' ' 19' ' ' ILE . 32.1 m -130.39 151.4 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.258 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -77.41 -29.22 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 64.49 33.16 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -147.58 16.62 1.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.723 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.73 -156.09 8.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.37 -30.91 29.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.539 2.159 . . . . 0.0 112.156 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -104.78 28.93 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.01 -39.41 78.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.2 32.19 2.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -109.31 -38.0 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 89' ' ' ILE . 5.7 mt -120.94 123.85 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' N ' HD13 ' A' ' 39' ' ' ILE . 1.1 pt20 -146.68 173.64 12.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.25 -35.19 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.71 70.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.497 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -96.67 107.7 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.81 134.89 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.942 HG11 ' HE2' ' A' ' 66' ' ' MET . 18.2 t -87.12 132.56 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.578 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . . . -114.86 -35.04 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.362 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.4 ttm -152.95 147.41 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.906 HG12 HG23 ' A' ' 87' ' ' ILE . 15.7 m -136.97 125.52 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 t30 51.49 31.87 8.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.434 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.67 -26.29 22.66 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.403 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 61' ' ' VAL . 11.8 p -85.55 145.12 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.455 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -73.75 142.96 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.942 ' HE2' HG11 ' A' ' 58' ' ' VAL . 2.9 mmm -117.17 25.21 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.0 24.92 9.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 178.88 42.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 37' ' ' ILE . 29.7 m -141.36 153.08 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.28 153.68 33.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -52.97 -38.64 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.77 -35.35 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.09 57.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.483 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 76' ' ' GLN . 14.5 p -66.16 -42.7 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.498 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 75' ' ' VAL . 14.2 pt20 -60.99 -35.03 75.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.965 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -70.14 -50.09 43.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD13 ' CE1' ' A' ' 17' ' ' PHE . 4.4 pp -69.65 -30.67 68.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.639 ' N ' HD12 ' A' ' 78' ' ' LEU . 20.9 mtm180 -69.1 -25.09 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.033 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -23.37 67.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -54.33 -79.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.051 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.71 -29.75 8.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.89 31.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 178.32 79.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.392 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.81 110.62 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.82 132.35 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.906 HG23 HG12 ' A' ' 61' ' ' VAL . 38.2 mt -124.05 131.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.69 HG23 ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.47 120.46 38.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.661 HG21 HD23 ' A' ' 52' ' ' LEU . 2.8 pp -132.04 164.59 34.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.349 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -135.21 148.92 49.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.52 158.3 43.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.768 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.95 -50.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.38 -26.31 20.8 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.565 2.177 . . . . 0.0 112.302 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.89 99.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 164.68 49.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.551 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 1' ' ' ILE . 0.8 OUTLIER -147.03 119.95 8.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.97 -24.58 23.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.059 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -1.08 38.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.499 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' -3' ' ' SER . 1.0 OUTLIER -70.53 133.0 32.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.49 144.39 31.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.811 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.3 tt0 -112.93 154.18 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.585 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.548 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 50.8 tt0 -106.36 127.4 53.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.109 0.481 . . . . 0.0 111.279 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -131.58 139.01 49.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.749 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.28 124.78 49.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.797 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.59 142.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -99.66 116.08 30.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' HB2' ' A' ' 48' ' ' ALA . 2.4 mt -106.06 115.49 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -73.69 122.59 22.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -63.66 144.38 57.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.96 142.84 34.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 146.51 60.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.457 2.104 . . . . 0.0 112.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.16 -61.28 4.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.626 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.38 -70.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.22 -109.23 1.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -80.68 -27.57 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.915 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 91.9 -20.56 41.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.077 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.689 HG22 ' CG1' ' A' ' 42' ' ' VAL . 1.1 pt -119.28 172.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.44 118.18 22.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 21' ' ' ILE . 2.6 pp -77.81 152.03 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.84 134.03 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.76 -140.01 8.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.96 122.65 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -28.14 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -98.69 30.2 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -87.32 149.73 47.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.32 -22.91 21.93 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.6 2.2 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.2 m170 -104.37 146.21 29.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.963 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -143.96 139.31 29.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.778 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -147.24 137.68 23.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.34 123.71 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.47 13.09 36.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.709 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -168.18 44.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 110.716 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -95.66 37.93 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.045 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.1 p -122.36 159.67 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.791 HD11 HG23 ' A' ' 69' ' ' VAL . 3.7 mp -75.98 147.57 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.4 p -141.27 159.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -75.0 113.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -72.34 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.16 154.53 37.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.689 ' CG1' HG22 ' A' ' 19' ' ' ILE . 35.5 m -129.64 136.29 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -59.51 -24.63 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.996 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 31.95 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.776 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.3 17.2 1.32 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.748 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.08 -155.39 9.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 -27.11 22.87 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.172 . . . . 0.0 112.365 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.648 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -115.76 35.32 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -57.29 -37.83 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.09 31.54 2.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.94 -38.9 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.768 HD11 HD12 ' A' ' 87' ' ' ILE . 26.8 mt -121.0 133.24 55.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -151.94 173.67 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.62 -30.43 21.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -64.58 -31.67 72.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 89' ' ' ILE . 9.6 m-20 -95.53 113.81 25.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.694 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -82.96 116.68 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.843 ' HA ' HG22 ' A' ' 89' ' ' ILE . 21.2 t -75.99 123.2 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.67 -21.66 10.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.522 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.6 ttp -154.49 153.35 31.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.92 0.39 . . . . 0.0 111.073 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.489 ' O ' HG13 ' A' ' 61' ' ' VAL . 10.5 p -142.02 119.66 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.837 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t30 53.74 32.21 14.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.68 -26.18 21.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.772 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.21 127.27 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.363 . . . . 0.0 111.323 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 m -56.86 143.03 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.79 ' SD ' HD13 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -115.96 31.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.31 26.29 7.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -178.67 38.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.791 HG23 HD11 ' A' ' 37' ' ' ILE . 12.6 m -134.69 154.54 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 153.64 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -54.24 -41.88 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -68.12 -45.81 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.436 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -60.12 -36.51 77.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.067 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -53.42 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.545 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 72' ' ' ALA . 11.0 p -55.88 -40.88 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.472 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -67.5 -25.15 65.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.219 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -50.46 29.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.052 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -38.97 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.813 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -64.99 -24.99 67.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -63.69 -22.16 66.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.093 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.8 m -54.3 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.6 -33.89 6.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -165.1 31.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -179.41 69.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.92 108.1 19.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.582 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -96.15 136.39 36.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.768 HD12 HD11 ' A' ' 52' ' ' LEU . 36.3 mt -130.21 131.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.749 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.44 123.93 42.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.843 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.8 pp -136.04 159.68 38.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -121.26 133.72 55.15 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.034 0.445 . . . . 0.0 111.324 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 159.97 43.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.798 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -54.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.948 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.77 -28.02 25.71 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.596 2.198 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.98 -59.04 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 173.87 136.55 2.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.528 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 37.5 m -83.46 -74.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.449 ' HB2' HG22 ' A' ' 1' ' ' ILE . 4.8 p-10 -176.92 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 57.24 30.08 17.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.0 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' A' ' -2' ' ' ASP . 1.6 tt -105.14 132.89 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.458 ' CE2' ' HG2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -98.88 137.23 37.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 59.2 tt0 -118.66 149.33 41.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.431 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.594 ' CB ' ' HG3' ' A' ' 90' ' ' ARG . 0.7 OUTLIER -106.28 137.49 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.256 0.55 . . . . 0.0 111.818 -179.191 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -133.15 138.79 46.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.497 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.536 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -107.03 121.7 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.97 143.0 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -98.5 116.71 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 48' ' ' ALA . 14.3 mt -106.16 114.56 28.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -74.91 116.2 15.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 118.11 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.51 159.2 33.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -59.38 148.13 88.02 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.566 2.178 . . . . 0.0 112.237 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.24 -34.72 5.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.385 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 43' ' ' LEU . 3.3 m-85 -156.5 -56.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.98 -89.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.659 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' HD2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -59.38 -37.07 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 0.0 111.132 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.757 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.1 -22.04 28.01 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 113.056 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.022 HG22 HG12 ' A' ' 42' ' ' VAL . 1.5 pt -124.03 161.02 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 111.292 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 119.02 36.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 74' ' ' ALA . 42.4 pt -82.1 136.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -124.17 133.95 53.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.8 -157.11 26.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.32 115.63 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -71.57 -35.86 70.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.61 34.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -86.2 161.21 49.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.12 -24.67 77.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.56 2.173 . . . . 0.0 112.164 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.56 142.14 44.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.764 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.46 134.95 50.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -138.66 133.14 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 p -88.91 132.33 34.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.1 13.13 55.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.771 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -161.58 44.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.763 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 p -88.36 10.2 20.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.476 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.0 p -94.4 139.2 31.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 22' ' ' SER . 29.0 mt -79.05 132.06 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.16 160.62 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -76.71 110.23 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -61.3 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -156.37 154.88 31.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 1.022 HG12 HG22 ' A' ' 19' ' ' ILE . 17.9 m -122.62 138.74 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.869 ' HD3' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER 65.84 28.77 10.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.797 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.6 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -140.69 12.49 2.93 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.719 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.34 -171.47 12.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.5 -29.4 40.02 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.538 2.159 . . . . 0.0 112.372 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.808 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -103.7 25.27 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.98 -43.52 91.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.65 52.84 0.72 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.561 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -130.52 -46.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.916 ' HB2' HG21 ' A' ' 19' ' ' ILE . 33.6 mt -113.77 120.32 40.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -151.12 173.67 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -50.55 -29.46 10.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -27.75 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.93 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.787 ' HB3' HD13 ' A' ' 89' ' ' ILE . 3.9 m-20 -108.04 121.49 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.78 127.12 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.617 ' HA ' HG22 ' A' ' 89' ' ' ILE . 18.5 t -81.81 139.1 18.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -121.17 -43.27 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.4 ttp -146.74 152.47 38.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.993 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.093 HG22 HG23 ' A' ' 87' ' ' ILE . 47.4 t -141.97 121.99 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 53.85 31.88 14.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.73 -25.84 25.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.386 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 61' ' ' VAL . 12.1 p -85.58 137.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.457 . . . . 0.0 111.575 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.4 p -77.19 143.2 39.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.48 ' SD ' HG11 ' A' ' 58' ' ' VAL . 8.7 mtt -110.45 29.16 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.46 10.89 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -179.57 46.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.665 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.664 HG23 HD11 ' A' ' 37' ' ' ILE . 13.9 m -134.0 152.39 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.65 153.54 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.904 ' O ' HG23 ' A' ' 75' ' ' VAL . 30.0 p-80 -55.54 -47.07 76.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.752 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.92 -40.05 91.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 21' ' ' ILE . . . -73.36 -33.73 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 71' ' ' HIS . 38.7 t -69.17 -48.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -59.78 -29.68 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.04 -50.01 32.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.4 pp -71.89 -30.69 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.799 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -72.66 -25.67 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -27.29 69.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 m -57.72 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.61 -29.19 10.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -173.81 35.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -177.14 64.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.07 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -92.04 139.62 30.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.978 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.093 HG23 HG22 ' A' ' 61' ' ' VAL . 3.3 mp -130.79 133.4 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.536 HG23 HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -98.46 127.98 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.787 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.8 pp -140.4 163.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -123.8 136.1 54.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 111.237 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 150.15 33.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.691 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -139.45 -37.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.273 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 mttp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.911 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -6' ' ' PRO . . . . . 0.484 ' O ' HD12 ' A' ' -5' ' ' LEU . 52.9 Cg_exo -52.65 178.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.552 2.168 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -5' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' -6' ' ' PRO . 0.9 OUTLIER -147.17 145.5 29.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -111.95 -27.26 4.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.434 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 71.9 m 60.22 77.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -141.72 136.15 30.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 11.5 m170 62.03 28.46 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 24.1 mt -114.15 119.66 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.4 ' CA ' ' HB3' ' A' ' 92' ' ' LYS . 65.8 p-90 -116.47 133.25 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.061 0.458 . . . . 0.0 111.572 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -115.6 140.5 49.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.047 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -107.36 127.61 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -132.99 138.64 46.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.699 ' HB ' HG23 ' A' ' 88' ' ' THR . 2.3 t -116.53 118.03 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.628 HG21 ' OE1' ' A' ' 51' ' ' GLN . 21.6 t -118.66 149.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.222 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.3 m -104.24 117.94 35.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.991 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 ' CD1' ' A' ' 87' ' ' ILE . 2.9 mt -106.28 115.04 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -76.68 121.52 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 17.2 mtp-105 -60.35 128.94 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.52 146.13 46.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.88 150.22 30.88 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.532 2.154 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.81 -51.7 3.86 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.574 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.826 ' CD1' HD13 ' A' ' 43' ' ' LEU . 79.1 m-85 -106.47 -76.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.95 -108.34 1.73 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.697 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -67.76 -35.74 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.763 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 94.4 -23.33 32.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.833 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.904 HG22 HG12 ' A' ' 42' ' ' VAL . 2.6 pp -130.69 156.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 111.218 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.39 132.28 55.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' HB ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -91.08 162.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.93 134.05 19.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.7 -138.97 8.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 118.26 93.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.998 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -71.84 -32.08 67.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.7 0.285 . . . . 0.0 111.615 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -55.07 -25.03 28.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.996 -178.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 1.1 t30 176.22 -54.55 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.235 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 27' ' ' ASN . 38.2 Cg_exo -33.13 -61.12 0.19 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.346 2.698 . . . . 0.0 113.83 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.88 134.73 20.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 111.495 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -143.01 134.9 26.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.679 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -149.99 137.17 19.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.061 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -72.84 120.01 17.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.94 -7.1 62.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.866 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -149.76 28.83 0.76 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 76.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.781 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.8 p -155.41 -178.19 7.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.448 HG21 ' HE1' ' A' ' 66' ' ' MET . 30.3 mm -103.26 143.76 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.1 t -141.84 159.03 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.605 HD13 ' O ' ' A' ' 53' ' ' GLN . 3.8 mp -74.03 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.31 -54.49 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.27 154.93 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.904 HG12 HG22 ' A' ' 19' ' ' ILE . 21.1 m -131.11 137.37 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.289 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.826 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -61.72 -27.89 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HG2' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 61.71 28.22 17.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.731 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -141.95 13.32 2.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.734 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.64 -158.09 9.52 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.41 -28.03 46.71 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 112.211 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.636 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -110.15 32.32 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.026 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.59 76.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.32 28.94 2.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.628 ' OE1' HG21 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -98.07 -39.37 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.796 ' HB2' HG21 ' A' ' 19' ' ' ILE . 15.8 mt -120.9 125.21 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -149.24 173.74 13.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.95 -33.73 52.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -59.4 -29.65 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.637 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -108.02 99.95 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -64.03 140.26 58.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.771 ' HA ' HG22 ' A' ' 89' ' ' ILE . 19.7 t -88.21 130.64 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -113.8 -36.28 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttp -149.85 149.34 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.085 HG12 HG23 ' A' ' 87' ' ' ILE . 13.5 m -138.3 119.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.2 t30 56.23 32.3 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.38 4.47 80.56 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.987 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.464 HG21 ' HG2' ' A' ' 77' ' ' GLN . 21.5 t -109.74 131.2 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.861 0.362 . . . . 0.0 111.161 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.1 142.98 53.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.587 ' HG2' HG22 ' A' ' 61' ' ' VAL . 10.0 mmm -123.79 37.71 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -119.85 22.75 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t30 173.91 48.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.876 0.369 . . . . 0.0 110.738 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.15 152.97 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 23.3 tt0 -68.72 153.11 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.417 ' CE1' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -57.78 -43.81 85.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -67.99 -38.09 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -34.4 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.476 ' HB1' ' SD ' ' A' ' 66' ' ' MET . . . -73.37 -45.9 52.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.655 ' HB ' HD11 ' A' ' 21' ' ' ILE . 10.1 p -66.18 -44.96 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.9 -23.99 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.464 ' HG2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -71.92 -50.17 31.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 21' ' ' ILE . 4.2 pp -72.38 -32.45 66.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.5 ttt180 -72.32 -25.01 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.919 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -19.53 65.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 6.5 m -52.62 -67.47 0.25 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.41 -43.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.582 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -166.74 32.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.86 65.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 81' ' ' SER . . . -97.95 106.59 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.05 139.71 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.085 HG23 HG12 ' A' ' 61' ' ' VAL . 4.1 mp -129.89 131.51 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.225 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.699 HG23 ' HB ' ' A' ' 6' ' ' THR . 1.4 m -98.64 121.21 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.1 pp -129.03 165.66 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.459 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.708 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.09 147.36 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 145.3 38.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HB3' ' CA ' ' A' ' 2' ' ' TRP . 3.9 pttt -143.28 -38.34 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.078 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 pttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.843 -179.879 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.633 0.254 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -107.66 127.22 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.038 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -133.1 137.21 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.803 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.524 HG23 ' OG1' ' A' ' 88' ' ' THR . 6.1 m -114.47 128.07 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.75 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -128.86 148.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.688 HG23 ' HB3' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -97.47 118.92 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.08 HD13 ' HB2' ' A' ' 48' ' ' ALA . 51.2 mt -99.54 111.75 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -80.61 116.17 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 131.54 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.03 155.66 81.24 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -51.55 142.18 40.24 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.373 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.98 -40.74 2.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CG ' HD22 ' A' ' 43' ' ' LEU . 4.8 m-85 -153.85 -66.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.01 -77.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -59.51 -37.14 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 111.034 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.707 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 89.62 -23.53 19.07 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.084 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.043 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -130.24 166.77 26.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -113.38 118.13 33.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pp -65.35 147.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.342 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.01 133.91 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.59 -113.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 126.66 4.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.5 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.81 0.338 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.89 HD12 ' HG3' ' A' ' 66' ' ' MET . 50.6 mt -74.22 150.09 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 39' ' ' ILE . 14.8 t -139.13 160.96 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.6 mp -84.99 120.23 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.224 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -59.1 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -149.46 154.97 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.043 HG12 HG22 ' A' ' 19' ' ' ILE . 30.6 m -123.57 145.47 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.707 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -69.44 -28.83 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.029 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.73 30.4 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.563 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -145.74 17.5 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.61 -154.01 7.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.32 -28.91 32.75 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.538 2.158 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.08 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -108.27 31.38 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.05 -48.38 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.86 59.08 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -139.6 -46.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.767 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -110.39 116.02 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.88 173.66 14.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -51.34 -31.43 21.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.35 -28.37 68.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.663 ' HB3' HD13 ' A' ' 89' ' ' ILE . 2.1 m-20 -116.39 125.87 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -90.84 127.37 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.009 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.746 HG22 HG22 ' A' ' 89' ' ' ILE . 22.0 t -76.02 139.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.806 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -117.65 -37.86 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.3 ttp -142.84 148.56 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 87' ' ' ILE . 28.3 t -135.68 120.54 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.31 32.27 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.26 -25.57 21.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.542 HG21 ' HG2' ' A' ' 77' ' ' GLN . 20.3 t -80.17 138.79 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 m -73.75 137.06 43.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.89 ' HG3' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -113.15 29.88 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.98 23.87 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -178.8 37.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.801 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG23 HD11 ' A' ' 37' ' ' ILE . 20.7 m -141.58 156.86 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -78.3 153.59 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -53.74 -38.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -50.51 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 39.7 t80 -60.2 -35.95 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -53.26 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.579 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.4 -37.79 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.642 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 4.7 pt20 -64.42 -25.6 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.542 ' HG2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -72.02 -50.2 30.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.49 -30.67 66.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -64.44 -27.37 68.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -22.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -51.75 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.82 -26.01 22.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.603 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.64 34.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -177.97 61.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.74 102.28 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.688 ' HB3' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -95.91 139.65 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 61' ' ' VAL . 31.0 mt -130.94 136.76 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.524 ' OG1' HG23 ' A' ' 6' ' ' THR . 61.0 m -98.5 116.58 31.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.746 HG22 HG22 ' A' ' 58' ' ' VAL . 2.8 pp -124.99 159.57 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.806 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.03 148.94 47.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 25.6 tt0 . . . . . 0 C--O 1.227 -0.111 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -106.63 128.92 54.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 111.499 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -132.37 138.63 47.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 t -111.01 124.09 51.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.552 HG11 HE22 ' A' ' 51' ' ' GLN . 21.7 t -122.59 150.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.96 112.52 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.456 HD13 HD12 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -106.29 116.42 31.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -76.33 131.35 39.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -58.05 119.95 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.56 159.06 33.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -59.16 146.85 93.13 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.115 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.55 -31.48 8.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.22 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CG ' HD22 ' A' ' 43' ' ' LEU . 2.1 t80 -165.79 -50.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 -77.44 0.25 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.529 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.789 ' CZ ' HD22 ' A' ' 78' ' ' LEU . 1.7 t80 -59.45 -37.15 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.629 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.19 -20.88 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.746 HG22 ' CG1' ' A' ' 42' ' ' VAL . 1.2 pt -139.05 172.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.64 118.15 25.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 pt -77.37 159.47 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.09 134.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.34 -147.67 19.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.11 118.94 1.93 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.443 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.997 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.911 0.386 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.667 HG22 ' HB3' ' A' ' 66' ' ' MET . 1.2 tp -71.85 143.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.3 p -125.93 158.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.015 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.482 ' N ' HG22 ' A' ' 38' ' ' VAL . 3.1 mp -83.34 116.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.7 p -74.73 -65.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -144.08 154.91 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.746 ' CG1' HG22 ' A' ' 19' ' ' ILE . 27.0 m -130.33 150.29 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.629 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -72.6 -30.06 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt 65.68 31.47 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.06 16.81 1.94 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.36 -168.38 11.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.52 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.54 -32.4 43.59 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.581 2.188 . . . . 0.0 112.308 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.659 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -104.18 29.05 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -57.85 -32.1 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.17 26.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.552 HE22 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -94.54 -38.4 10.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.767 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 87' ' ' ILE . 5.2 mt -120.95 125.14 46.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.86 173.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -25.52 24.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -58.4 -29.28 65.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.48 -169.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -146.13 121.09 10.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.73 HG22 ' CG2' ' A' ' 89' ' ' ILE . 30.5 t -77.82 129.84 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.72 -7.23 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -159.92 147.07 16.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.923 0.392 . . . . 0.0 111.302 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 61' ' ' VAL . 13.0 p -141.87 120.3 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.834 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t30 56.27 32.23 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.86 -19.49 48.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.93 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.89 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.356 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 143.05 56.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.667 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.0 mmm -117.46 29.69 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.83 12.49 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.25 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t30 178.98 48.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.754 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.44 147.85 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.27 150.63 43.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.49 ' O ' HG12 ' A' ' 75' ' ' VAL . 61.2 t60 -53.32 -41.38 65.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -69.27 -36.26 76.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.21 -38.02 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB1' ' CE ' ' A' ' 66' ' ' MET . . . -73.43 -39.89 64.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 71' ' ' HIS . 13.5 p -71.88 -44.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.479 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' HG13 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -63.77 -25.05 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.227 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.1 -50.11 30.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.185 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.789 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 pp -72.21 -30.71 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -63.11 -27.34 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -25.18 68.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.205 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 m -53.49 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.088 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.53 -28.14 11.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.691 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.72 30.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t30 175.88 80.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.09 112.05 23.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.003 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.31 138.79 31.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.542 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 18.3 mt -129.42 128.35 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.517 HG22 ' HG2' ' A' ' 4' ' ' GLN . 6.4 m -98.37 128.83 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.73 ' CG2' HG22 ' A' ' 58' ' ' VAL . 2.7 pp -139.63 166.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 1.1 mpp_? -134.04 148.96 51.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.022 0.439 . . . . 0.0 111.252 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.814 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.556 0.217 . . . . 0.0 110.537 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.57 133.85 51.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.977 0.418 . . . . 0.0 111.187 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -128.16 136.77 51.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.663 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.569 HG23 HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -104.63 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.69 151.97 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 p -116.18 114.63 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.159 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' ' 48' ' ' ALA . 3.8 mt -106.21 115.31 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 47' ' ' PRO . 28.4 p-80 -75.89 125.99 30.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -62.73 122.94 17.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.78 142.35 35.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.49 148.39 53.08 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.489 2.126 . . . . 0.0 112.292 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.11 -59.12 4.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.602 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 43' ' ' LEU . 22.2 m-85 -83.36 -77.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.31 -104.74 0.92 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.761 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -90.28 -29.71 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.993 -179.714 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.743 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 106.71 -22.8 29.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.381 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.848 HD13 HD12 ' A' ' 39' ' ' ILE . 2.6 pp -135.35 163.86 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -114.13 137.11 52.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.596 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -95.48 145.7 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -138.23 134.01 33.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.21 -149.55 20.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 129.03 2.94 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.383 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.111 -179.889 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.811 0.339 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 22' ' ' SER . 4.6 mt -92.06 132.25 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.02 166.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.848 HD12 HD13 ' A' ' 19' ' ' ILE . 27.0 mm -76.13 118.36 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -67.16 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -140.42 153.98 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.782 ' CG1' HG22 ' A' ' 19' ' ' ILE . 26.9 m -128.01 155.19 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.743 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -83.57 -15.58 48.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.304 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 28.3 pttt 45.89 38.04 4.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.81 0.338 . . . . 0.0 111.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.75 22.73 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -139.35 -149.18 5.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.431 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 57.1 Cg_endo -70.7 -28.48 20.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.176 . . . . 0.0 112.417 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' A' ' 19' ' ' ILE . . . -113.53 34.34 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -40.19 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.51 24.21 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.589 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -86.32 -45.37 11.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.724 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD21 ' HB ' ' A' ' 87' ' ' ILE . 3.5 mp -120.91 125.18 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 173.82 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -50.63 -30.85 14.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.89 -29.73 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.54 116.34 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -81.33 122.88 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.756 HG11 ' CE ' ' A' ' 66' ' ' MET . 21.9 t -76.38 132.8 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.609 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . . . -115.67 -43.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.7 ttm -141.84 147.47 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.765 ' O ' HG12 ' A' ' 64' ' ' VAL . 12.3 p -141.95 132.45 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 31.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.02 -23.53 30.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.093 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 61' ' ' VAL . 14.4 p -90.68 140.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.6 t -71.24 136.62 48.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.756 ' CE ' HG11 ' A' ' 58' ' ' VAL . 7.1 mmm -101.87 23.68 11.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 22.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -177.3 36.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.714 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.18 157.74 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -79.76 153.54 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.597 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.3 p80 -56.89 -41.57 78.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -71.01 -36.62 72.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.03 -38.86 69.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.74 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 71' ' ' HIS . 14.9 p -72.0 -46.7 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.587 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.502 ' N ' HG13 ' A' ' 75' ' ' VAL . 1.6 pp0? -58.31 -30.22 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 111.035 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -50.11 30.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.4 pp -71.2 -31.82 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.264 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.653 ' N ' HD12 ' A' ' 78' ' ' LEU . 3.1 tmm_? -66.98 -26.47 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.81 -17.29 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -51.22 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.71 -30.43 9.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.631 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.46 33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.734 0.302 . . . . 0.0 110.972 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.53 67.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.79 102.15 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.93 139.42 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.663 HG12 HG23 ' A' ' 61' ' ' VAL . 22.1 mt -130.81 130.47 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.569 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.53 132.02 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.674 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.0 pp -136.96 167.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.899 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.609 ' CD ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -136.41 143.15 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.345 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' ' CD ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.162 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.673 ' HG2' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -107.6 127.3 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.018 0.437 . . . . 0.0 111.4 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -129.15 138.61 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.625 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -104.22 122.36 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.8 148.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 86' ' ' LYS . 47.2 p -113.6 112.55 23.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.987 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.794 HD22 ' HB2' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.3 116.51 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -80.48 126.34 31.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 138.31 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.84 148.94 70.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -51.75 143.63 37.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.42 -49.39 0.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CD2' HD22 ' A' ' 43' ' ' LEU . 81.4 m-85 -134.52 -70.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.84 -84.31 0.37 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.721 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' HD12 ' A' ' 78' ' ' LEU . 1.7 m-85 -69.24 -34.9 75.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.855 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 80.66 0.7 88.18 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.614 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.88 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.31 172.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.979 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.35 118.21 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.419 HD11 ' HB ' ' A' ' 75' ' ' VAL . 2.4 pt -80.83 155.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.34 133.8 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.03 -134.16 5.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.645 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.68 99.26 2.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.249 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.863 0.363 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.78 HG22 ' HB3' ' A' ' 66' ' ' MET . 0.8 OUTLIER -74.69 142.29 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 39' ' ' ILE . 16.9 t -129.54 160.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.561 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.6 mp -76.78 119.54 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.171 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -55.28 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.0 154.98 28.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.88 HG12 HG22 ' A' ' 19' ' ' ILE . 32.6 m -126.47 138.46 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.855 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -60.62 -24.73 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.987 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.74 31.46 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.447 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.81 14.61 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.725 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.48 -164.62 11.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.392 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.32 -24.65 57.52 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.571 2.181 . . . . 0.0 112.298 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.794 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -109.86 28.0 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.17 27.4 3.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.64 -41.57 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 19' ' ' ILE . 55.3 mt -120.95 102.12 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 173.62 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -49.23 -29.16 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.71 -29.7 70.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.804 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.26 127.98 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.34 133.45 39.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.692 ' CG2' HG23 ' A' ' 37' ' ' ILE . 10.9 m -86.63 126.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.859 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -111.86 -30.19 7.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.393 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.9 ttp -140.58 144.74 36.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 61' ' ' VAL . 10.0 p -137.57 119.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.87 32.24 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.6 4.5 79.78 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.844 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.517 HG21 ' CD ' ' A' ' 77' ' ' GLN . 25.5 t -107.59 137.63 37.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -66.34 143.11 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.78 ' HB3' HG22 ' A' ' 37' ' ' ILE . 6.3 mtp -118.34 26.66 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -120.36 24.22 10.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 179.46 43.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.719 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.56 147.14 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.326 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.49 153.82 41.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.459 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.2 t60 -49.6 -38.45 31.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -69.63 -37.99 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -38.34 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.85 58.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 72' ' ' ALA . 12.8 p -65.84 -41.07 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' HG13 ' A' ' 75' ' ' VAL . 6.6 pt20 -61.26 -27.63 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 111.112 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.517 ' CD ' HG21 ' A' ' 64' ' ' VAL . 41.1 mm-40 -72.02 -50.13 31.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.218 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' A' ' 17' ' ' PHE . 3.7 pp -72.72 -30.57 64.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.8 m -56.0 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.054 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -29.21 11.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -166.73 30.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.8 p30 176.65 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.06 110.26 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -97.95 136.01 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.985 0.421 . . . . 0.0 111.117 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.723 HD12 ' CD1' ' A' ' 9' ' ' LEU . 3.7 mt -130.84 138.11 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.673 HG22 ' HG2' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -97.98 123.24 41.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.8 pp -122.83 165.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.1 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.03 145.13 43.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 0.0 111.296 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.252 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 63.3 tt0 . . . . . 0 CA--C 1.523 -0.083 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.483 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.0 tt0 -106.88 130.75 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.049 0.452 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -118.86 138.07 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.306 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 88' ' ' THR . 18.1 p -108.62 118.03 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.061 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -119.67 147.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.038 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 m -107.92 113.98 27.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.1 mt -106.25 115.4 30.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -76.85 128.56 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -59.58 128.93 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.92 151.53 44.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.55 148.58 72.95 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.245 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.62 -42.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.929 ' CD1' HD22 ' A' ' 43' ' ' LEU . 35.8 m-85 -117.25 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.48 -88.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.713 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -98.08 -32.65 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.733 0.302 . . . . 0.0 111.179 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.864 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 101.2 -23.71 34.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.69 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.742 HG22 HG12 ' A' ' 42' ' ' VAL . 2.6 pp -131.2 152.93 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 122.53 47.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.5 pp -73.29 155.91 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.83 148.3 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.54 -104.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.49 119.1 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 110.923 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.751 0.31 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.676 HG22 ' HB3' ' A' ' 66' ' ' MET . 3.4 tp -75.99 143.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 p -136.1 153.35 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.96 121.99 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.13 -55.18 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.74 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.87 150.55 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 19' ' ' ILE . 28.1 m -131.72 147.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.929 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -74.43 -28.39 61.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.002 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt 65.13 30.18 11.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.632 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.62 16.41 2.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.675 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -168.24 11.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.518 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.74 -30.62 47.27 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.653 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -106.83 29.19 7.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -41.7 80.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.19 43.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.59 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.85 -40.0 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 HD13 ' A' ' 87' ' ' ILE . 3.9 mt -120.92 106.71 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.94 171.84 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.77 -30.78 6.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -32.04 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.583 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -97.75 105.45 17.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.671 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.52 122.04 24.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.757 ' HA ' HG22 ' A' ' 89' ' ' ILE . 33.5 t -75.98 127.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.562 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . . . -117.14 -25.34 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.546 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . 0.406 ' HB3' ' OG1' ' A' ' 88' ' ' THR . 8.6 ttm -150.3 149.01 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 87' ' ' ILE . 21.9 t -141.97 120.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 t30 54.64 32.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.18 -26.17 18.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.763 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.454 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.4 t -83.75 128.62 38.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 143.02 58.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.676 ' HB3' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -121.14 27.95 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.09 12.89 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 177.66 55.32 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.68 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -131.54 153.43 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.05 153.64 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.89 ' O ' HG23 ' A' ' 75' ' ' VAL . 42.2 p-80 -51.19 -46.8 62.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.5 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.75 -36.18 83.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HA ' ' HE3' ' A' ' 66' ' ' MET . . . -73.2 -45.41 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 71' ' ' HIS . 28.9 t -60.29 -50.69 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -58.93 -26.94 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.096 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.454 ' CG ' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -72.03 -50.25 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.031 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.62 -30.6 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.747 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.39 -24.9 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -22.18 66.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.155 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.3 m -56.62 -73.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.15 -34.52 5.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.598 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 31.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 p30 179.69 74.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.22 107.17 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -92.75 138.69 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.509 HG23 HG22 ' A' ' 61' ' ' VAL . 4.0 mp -130.61 126.24 60.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.529 ' CG2' HG22 ' A' ' 6' ' ' THR . 4.8 p -98.46 126.82 44.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -135.24 167.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.562 ' NH1' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -133.2 145.9 51.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.301 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 16.3 pt-20 . . . . . 0 C--O 1.229 0.017 0 CA-C-O 120.66 0.267 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.584 ' HG2' HG22 ' A' ' 88' ' ' THR . 8.0 tt0 -107.4 127.16 53.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.135 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.404 ' CE1' ' HG3' ' A' ' 3' ' ' GLU . 24.6 m80 -130.78 138.59 49.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 6' ' ' THR . 8.5 t -115.66 116.97 29.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 t -118.29 150.01 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 4.5 m -102.53 119.06 38.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.863 HD13 ' HB2' ' A' ' 48' ' ' ALA . 35.0 mt -106.09 114.89 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.41 119.22 10.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.79 120.3 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.86 155.54 42.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.59 157.73 4.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.606 2.204 . . . . 0.0 112.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.57 2.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -150.38 -64.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 0.0 110.824 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -77.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.683 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.761 ' CD1' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -60.04 -37.02 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.762 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.96 -17.28 56.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.852 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.896 HG22 ' CG1' ' A' ' 42' ' ' VAL . 2.1 pp -138.03 171.28 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -119.91 148.0 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.711 HD11 HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.61 149.99 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 133.97 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.14 -125.07 3.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.56 111.81 3.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.636 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 67' ' ' ASP . 59.7 p . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.634 0.254 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.802 HG22 ' HB3' ' A' ' 66' ' ' MET . 0.7 OUTLIER -74.57 141.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 111.224 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.9 p -123.69 161.69 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.715 HD12 HD13 ' A' ' 19' ' ' ILE . 27.1 mm -73.77 119.16 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.074 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -66.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.497 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -142.66 154.99 44.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.896 ' CG1' HG22 ' A' ' 19' ' ' ILE . 26.7 m -132.79 150.2 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.762 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -75.69 -30.05 59.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 tttt 63.61 32.06 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.59 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -145.7 17.18 1.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.666 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -153.57 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 -30.54 22.34 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.617 2.211 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.863 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -104.81 28.99 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.229 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.56 -44.72 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.78 40.01 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.577 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -111.17 -39.88 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.663 HD12 HG12 ' A' ' 19' ' ' ILE . 11.2 mt -120.66 106.39 11.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 173.64 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -30.57 47.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -32.04 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.67 118.83 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 -84.46 126.78 33.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.66 HG13 HG23 ' A' ' 37' ' ' ILE . 9.3 p -91.85 133.54 33.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.01 5.17 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.885 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -160.13 141.49 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 111.205 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 61' ' ' VAL . 9.5 p -142.0 119.32 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.3 32.32 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.36 -25.94 22.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.688 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.521 HG21 ' HG2' ' A' ' 77' ' ' GLN . 21.8 t -78.4 145.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.224 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.2 m -77.03 143.07 39.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.802 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.4 mtt -116.8 27.98 8.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 36' ' ' SER . 20.2 t70 -119.09 23.21 11.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -180.0 38.76 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.45 146.66 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.69 153.7 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.903 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.3 p-80 -54.32 -46.35 72.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.67 90.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.4 -36.83 83.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.02 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 71' ' ' HIS . 30.6 t -72.03 -53.08 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -29.68 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 64' ' ' VAL . 1.5 mt-30 -72.03 -50.16 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 79' ' ' ARG . 3.9 pp -72.75 -30.99 64.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.87 ' N ' HD12 ' A' ' 78' ' ' LEU . 24.6 ttt-85 -66.87 -25.04 66.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -25.95 68.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.3 m -54.3 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.71 -18.76 51.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.835 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -168.68 31.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.726 0.298 . . . . 0.0 110.875 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 174.65 73.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.86 105.65 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 5.9 pttt -95.67 139.6 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.647 HD13 HD12 ' A' ' 9' ' ' LEU . 3.8 mp -130.83 132.83 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.037 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.584 HG22 ' HG2' ' A' ' 4' ' ' GLN . 6.0 m -98.46 118.63 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.578 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.6 pp -126.15 163.55 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.3 138.68 45.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.638 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.5 OUTLIER . . . . . 0 CA--C 1.524 -0.053 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -107.54 127.3 53.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.898 0.38 . . . . 0.0 111.325 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -133.02 138.58 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.845 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 t -116.5 121.88 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.17 147.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -102.69 113.72 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.709 HD12 ' CD1' ' A' ' 87' ' ' ILE . 2.6 mt -106.12 115.88 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -78.9 117.25 19.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -58.89 134.12 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -119.5 159.36 46.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 29.8 Cg_endo -63.04 142.13 86.39 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.644 2.229 . . . . 0.0 112.248 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.07 -39.28 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -138.45 -71.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 -106.91 1.74 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.579 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -60.05 -37.19 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.6 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.62 -22.19 28.98 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.062 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.75 HG21 ' HB2' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -121.14 164.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.38 118.03 33.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.603 HD11 HG21 ' A' ' 37' ' ' ILE . 2.4 tt -80.23 131.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.81 133.98 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.58 24.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.661 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 138.4 98.42 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.381 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.521 -179.61 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.84 0.353 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' SD ' ' A' ' 66' ' ' MET . 40.2 mt -83.97 148.74 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.02 164.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.5 HD13 ' C ' ' A' ' 52' ' ' LEU . 4.4 mt -90.44 118.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -65.49 -66.83 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.95 154.28 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 19' ' ' ILE . 27.8 m -120.7 134.78 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.363 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -59.89 -28.32 67.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.889 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 68.21 30.2 5.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.788 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.643 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -147.62 17.58 1.45 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.721 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.37 -171.76 13.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 -27.06 45.34 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.599 2.199 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.668 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -114.72 33.97 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.313 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.71 -47.24 80.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.67 32.82 2.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -105.11 -44.92 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.75 ' HB2' HG21 ' A' ' 19' ' ' ILE . 4.2 mt -117.28 107.13 14.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -129.67 173.72 10.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -49.62 -31.85 11.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.45 -30.17 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.24 106.34 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.748 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -78.06 123.78 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.729 ' HA ' HG22 ' A' ' 89' ' ' ILE . 12.5 m -75.99 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.79 -35.56 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.42 150.95 38.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 61' ' ' VAL . 11.6 p -141.97 119.28 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.43 32.34 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.4 4.51 80.49 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.485 HG11 ' NE2' ' A' ' 77' ' ' GLN . 21.2 t -112.82 127.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -57.11 142.44 42.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.611 ' SD ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -117.87 36.9 4.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.12 27.81 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -179.93 41.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 37' ' ' ILE . 31.0 m -142.91 149.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.338 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.773 ' OE1' ' HB3' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -73.77 153.72 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.789 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 75' ' ' VAL . 34.9 p80 -49.71 -44.45 48.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.773 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . . . -56.41 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.471 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 8.1 t80 -61.57 -34.88 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.6 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.4 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 71' ' ' HIS . 34.6 t -63.77 -47.31 91.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.391 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.414 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -59.87 -24.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.061 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.485 ' NE2' HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -71.97 -50.35 29.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.158 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.7 -30.74 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.82 -26.16 61.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -63.74 -27.2 69.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -58.35 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.1 -29.5 9.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -168.81 31.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.15 72.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.24 113.3 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 139.52 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.05 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.709 ' CD1' HD12 ' A' ' 9' ' ' LEU . 3.1 mp -130.93 130.18 63.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.173 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -98.53 118.89 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -129.44 165.05 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.295 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.0 146.82 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.8 mm-40 . . . . . 0 CA--C 1.523 -0.058 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.48 HE21 ' HB3' ' A' ' 59' ' ' ALA . 29.7 tt0 -107.21 127.26 53.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 111.495 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -122.18 138.53 54.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.468 HG22 HG23 ' A' ' 88' ' ' THR . 21.6 p -114.11 115.58 27.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.7 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.52 150.14 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 8' ' ' THR . 9.9 t -107.96 114.28 28.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.34 113.1 26.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -76.04 124.56 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -58.19 140.98 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.31 147.94 46.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.62 146.14 45.07 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.533 2.155 . . . . 0.0 112.268 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.61 -60.31 4.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.597 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.94 ' CD1' HD13 ' A' ' 43' ' ' LEU . 35.7 m-85 -82.26 -69.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.43 -81.89 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.681 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 3.4 t80 -93.85 -37.17 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.21 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.709 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 93.82 -26.29 17.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.649 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.018 HG22 HG12 ' A' ' 42' ' ' VAL . 1.1 pt -133.42 172.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.22 118.02 25.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.821 HD11 HG22 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -79.09 145.53 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.35 141.91 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.32 -157.59 24.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.43 98.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.79 0.329 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 mm -82.89 137.41 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 39' ' ' ILE . 10.0 p -133.93 158.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' N ' HG22 ' A' ' 38' ' ' VAL . 23.4 mm -75.8 118.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -66.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.81 154.96 51.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.018 HG12 HG22 ' A' ' 19' ' ' ILE . 35.8 m -136.03 144.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.349 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.94 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.39 -27.24 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' A' ' 42' ' ' VAL . 1.0 OUTLIER 63.05 32.69 15.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.441 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.04 14.8 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.726 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.05 -166.72 11.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.353 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -55.76 -32.39 84.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 0.0 112.304 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.456 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -101.96 26.85 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.366 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -42.7 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.22 33.11 1.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -105.92 -35.19 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 19' ' ' ILE . 5.1 mp -120.06 117.05 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.36 173.76 11.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.91 -31.93 19.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.25 -30.88 71.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.692 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 2.3 m-20 -97.9 103.33 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.735 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 121.24 22.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 89' ' ' ILE . 29.1 t -77.47 126.79 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -112.87 -26.78 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.409 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 ttm -147.9 153.71 39.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.853 HG23 ' CD1' ' A' ' 87' ' ' ILE . 11.6 p -142.0 119.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.04 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.34 32.27 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -26.18 20.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.642 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -85.7 127.39 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.99 139.52 54.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.708 ' CE ' ' HB1' ' A' ' 74' ' ' ALA . 1.1 mtt -110.84 29.7 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -120.79 26.39 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.42 38.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.39 144.01 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.272 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.608 ' OE2' ' HB3' ' A' ' 72' ' ' ALA . 2.8 pt-20 -70.84 153.84 42.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.8 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -45.62 -51.49 12.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.672 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HB3' ' OE2' ' A' ' 70' ' ' GLU . . . -55.09 -50.65 68.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.493 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.429 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 20.9 t80 -60.23 -33.7 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB1' ' CE ' ' A' ' 66' ' ' MET . . . -73.24 -38.22 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.438 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 21' ' ' ILE . 18.1 t -71.95 -44.5 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.513 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -65.49 -25.24 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.085 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -71.96 -50.27 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 3.6 pp -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -24.82 65.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . 37.0 m -56.72 -81.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.52 -28.92 9.02 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.779 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.95 29.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.21 80.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 81' ' ' SER . . . -113.79 111.14 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 87' ' ' ILE . 2.1 pttp -94.76 139.52 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.672 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.853 ' CD1' HG23 ' A' ' 61' ' ' VAL . 23.6 mm -128.46 134.87 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 HG22 ' A' ' 6' ' ' THR . 31.5 m -98.31 114.86 27.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.357 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.811 HD13 ' HD2' ' A' ' 91' ' ' ARG . 2.7 pp -124.48 164.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.246 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.54 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.06 148.76 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.254 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.811 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.817 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 17.1 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.521 0.201 . . . . 0.0 110.575 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -107.74 133.1 52.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.05 138.19 46.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.002 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' OG1' ' A' ' 88' ' ' THR . 58.0 p -112.22 125.79 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.25 150.9 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 86' ' ' LYS . 0.7 OUTLIER -105.77 115.19 29.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.819 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -106.06 114.07 27.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 129.87 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -59.91 124.05 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.86 159.15 33.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 30.8 Cg_endo -63.91 151.08 86.82 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.542 2.161 . . . . 0.0 112.156 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.54 -45.87 2.0 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.376 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.723 ' CD2' HD22 ' A' ' 43' ' ' LEU . 34.4 m-85 -133.76 -69.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.671 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.51 -87.76 0.43 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.907 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.625 ' CD2' HD12 ' A' ' 78' ' ' LEU . 5.2 m-85 -61.79 -37.08 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.701 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 92.03 -23.7 25.24 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.694 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.011 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -133.08 172.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.91 124.05 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.45 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.9 pp -77.86 156.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.142 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -140.37 141.92 35.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.64 -156.19 20.91 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 144.36 109.75 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.247 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 22' ' ' SER . 31.1 mm -71.79 140.18 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.05 163.06 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.5 mm -78.36 110.1 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.9 t -67.41 -69.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -148.49 154.93 40.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.011 HG12 HG22 ' A' ' 19' ' ' ILE . 26.9 m -128.14 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.253 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.723 HD22 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.18 -29.77 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.874 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 65.39 31.87 10.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.582 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -149.19 19.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.598 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.63 -151.84 7.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.02 -26.18 21.96 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.576 2.184 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.546 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -114.3 34.44 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.22 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.22 -34.58 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.25 28.08 2.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -105.58 -39.6 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.814 ' HB2' HG21 ' A' ' 19' ' ' ILE . 33.9 mt -120.97 122.67 40.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.22 173.75 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.04 -33.3 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -65.92 -30.92 71.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.6 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -95.09 105.94 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -78.7 123.11 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 37' ' ' ILE . 7.9 p -82.74 131.57 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -114.12 -26.19 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.35 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.5 ttm -151.07 146.46 26.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.873 HG13 ' CD1' ' A' ' 87' ' ' ILE . 69.5 t -134.49 119.57 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.5 t30 55.51 32.22 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.49 78.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.027 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.583 HG21 ' NE2' ' A' ' 77' ' ' GLN . 21.2 t -107.68 126.84 64.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 142.95 45.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.849 ' HG3' HG23 ' A' ' 61' ' ' VAL . 14.8 mmt -120.77 26.64 8.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -94.48 -13.72 25.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -162.73 64.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.78 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -135.17 148.38 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.029 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 6.0 pt-20 -77.4 146.67 36.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.027 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.4 p80 -46.08 -48.29 17.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.434 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -63.89 -40.32 96.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.686 179.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.45 ' HB3' HD13 ' A' ' 21' ' ' ILE . . . -65.15 -52.14 56.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 71' ' ' HIS . 12.7 t -57.8 -48.1 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.338 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 8.7 pt20 -59.83 -24.85 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.583 ' NE2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -66.96 -50.47 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.912 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -72.79 -30.67 64.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.638 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -31.66 72.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -66.4 -27.17 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -54.27 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.82 -38.64 3.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.682 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.69 32.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.975 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -179.17 71.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.47 109.97 21.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -90.71 138.7 31.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.873 ' CD1' HG13 ' A' ' 61' ' ' VAL . 20.2 mm -128.12 132.34 68.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 6' ' ' THR . 55.4 m -98.41 114.68 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.704 HG21 HD22 ' A' ' 52' ' ' LEU . 2.8 pp -126.04 159.47 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.383 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.78 137.91 43.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.681 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.9 mm-40 . . . . . 0 C--O 1.225 -0.186 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.664 ' HG2' HG22 ' A' ' 88' ' ' THR . 50.2 tt0 -106.6 126.87 52.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.479 . . . . 0.0 111.448 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -133.39 139.16 46.62 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.954 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.788 HG23 ' OG1' ' A' ' 88' ' ' THR . 0.3 OUTLIER -105.49 115.33 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.026 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.85 140.63 40.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.335 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 1.7 m -95.85 111.96 23.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.05 115.9 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -76.32 125.54 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 15.8 mtp-105 -54.93 130.46 41.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -117.65 159.1 43.54 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 38.9 Cg_endo -66.48 151.31 83.32 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.617 2.211 . . . . 0.0 112.241 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.63 12.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.426 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.939 ' CD2' HD13 ' A' ' 43' ' ' LEU . 97.2 m-85 -152.48 -60.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.57 -98.17 0.99 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.708 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.695 ' CE1' HD12 ' A' ' 78' ' ' LEU . 34.3 m-85 -59.56 -36.92 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 96.9 -14.74 63.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.825 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.144 HG22 HG12 ' A' ' 42' ' ' VAL . 1.8 pp -140.56 168.7 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 111.299 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.21 128.32 56.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.4 mp -78.04 145.43 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 135.17 25.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.37 -151.99 19.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.76 123.19 2.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.83 0.348 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.77 148.18 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.4 t -139.1 158.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.7 mp -83.22 120.0 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -68.98 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.45 155.02 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.748 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.144 HG12 HG22 ' A' ' 19' ' ' ILE . 36.0 m -125.21 144.84 33.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 111.404 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.939 HD13 ' CD2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -70.41 -30.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.21 31.69 6.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.809 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.97 16.81 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.743 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.33 -170.93 12.4 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.445 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.63 -28.92 39.11 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.588 2.192 . . . . 0.0 112.357 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -104.91 26.83 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.299 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -42.1 88.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.6 39.99 1.47 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.598 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.0 -42.7 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.778 HD12 HG12 ' A' ' 19' ' ' ILE . 11.3 mt -112.69 114.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.98 173.73 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.88 -29.07 4.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -32.06 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.703 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.518 ' HB3' HD13 ' A' ' 89' ' ' ILE . 1.4 m-20 -97.08 93.52 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -66.15 126.57 29.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.812 ' HA ' HG22 ' A' ' 89' ' ' ILE . 21.4 t -80.31 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' HE21 ' A' ' 4' ' ' GLN . . . -113.22 -33.58 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.286 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 ttp -152.88 155.75 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.877 HG12 HG23 ' A' ' 87' ' ' ILE . 5.1 m -141.45 119.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 51.48 32.4 8.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.43 -26.28 22.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.582 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.754 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.3 t -77.97 125.11 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -61.48 139.57 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.504 ' HE1' ' HB1' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -109.58 31.29 5.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.24 18.32 13.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.65 54.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -142.9 148.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 4.6 pt-20 -82.34 153.69 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -46.79 -38.41 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.564 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.85 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.0 m-85 -61.31 -33.82 74.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.508 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -71.95 -52.98 14.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.462 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.65 -40.48 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.42 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 14.5 pt20 -66.94 -27.75 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.148 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.754 ' CG ' HG21 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -70.52 -50.25 39.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.055 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD12 ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -72.83 -30.69 64.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -67.48 -27.24 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -63.88 -23.77 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -58.58 -66.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.0 -37.1 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -168.79 31.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -179.94 72.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.79 119.9 39.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 1.7 ptmt -96.15 135.5 37.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG12 ' A' ' 61' ' ' VAL . 30.8 mt -130.71 132.86 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.2 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.788 ' OG1' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.54 118.55 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.203 179.482 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.812 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.7 pp -134.26 162.62 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.609 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.681 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.79 143.94 51.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.399 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.044 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.548 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 3.9 tt0 . . . . . 0 C--O 1.226 -0.161 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.463 ' HB2' ' HG2' ' A' ' 90' ' ' ARG . 1.6 tt0 -106.55 132.39 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.159 0.504 . . . . 0.0 111.621 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -132.99 138.55 46.88 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.48 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 122.76 48.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 142.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.58 116.42 31.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -103.56 109.54 21.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -65.93 110.7 2.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.71 120.63 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.6 158.63 34.97 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 61.4 Cg_endo -73.09 147.12 42.39 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.97 -28.25 13.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.555 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.49 ' CD1' HD13 ' A' ' 43' ' ' LEU . 74.1 m-85 -135.17 -61.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.07 -95.52 1.12 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.11 -36.69 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.933 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.605 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 85.9 -1.21 87.95 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.976 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 52' ' ' LEU . 2.3 pt -126.8 156.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 111.334 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 41' ' ' ASP . . . -122.45 118.14 27.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 pp -76.51 151.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.69 133.85 29.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.38 -145.25 15.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.418 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 112.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 111.21 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.776 0.322 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 66' ' ' MET . 4.7 mp -115.73 113.95 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.31 166.15 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.6 mm -75.72 119.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -47.15 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m-20 -152.27 154.86 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.632 HG12 HG22 ' A' ' 19' ' ' ILE . 36.0 m -132.41 134.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.605 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -56.87 -26.38 58.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 68.52 30.25 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.92 14.3 2.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.673 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.4 -175.04 14.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.37 -25.87 25.89 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.629 2.22 . . . . 0.0 112.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.579 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -115.72 33.18 5.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.255 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -55.2 -41.25 71.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.14 28.36 2.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -98.93 -37.63 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.734 ' HB2' HG21 ' A' ' 19' ' ' ILE . 1.9 mt -118.62 127.91 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.0 173.68 11.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.9 -30.02 44.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.6 -31.56 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.41 113.8 25.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 118.35 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 89' ' ' ILE . 12.2 t -82.02 128.71 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB2' HH11 ' A' ' 90' ' ' ARG . . . -113.5 -32.14 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.313 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.2 ttm -145.64 147.9 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 111.244 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' HG12 ' A' ' 64' ' ' VAL . 60.9 t -140.19 119.31 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t30 53.64 31.85 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.361 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.77 -26.25 24.81 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.381 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 61' ' ' VAL . 12.0 p -86.23 145.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 117.008 0.404 . . . . 0.0 111.542 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -76.44 143.06 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.596 ' CG ' HG23 ' A' ' 61' ' ' VAL . 15.2 mmt -108.95 28.73 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.72 21.73 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -179.34 38.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.404 ' CA ' ' HG2' ' A' ' 25' ' ' ARG . 30.7 m -128.53 147.88 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.11 153.63 39.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 75' ' ' VAL . 12.9 t60 -49.84 -55.15 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.45 92.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -36.7 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.31 -46.65 48.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 71' ' ' HIS . 21.2 t -58.28 -42.47 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.279 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.02 -27.99 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.646 ' HG3' HG11 ' A' ' 64' ' ' VAL . 10.2 mm100 -69.73 -50.16 46.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.506 HD13 ' CD2' ' A' ' 17' ' ' PHE . 3.5 pp -72.67 -31.2 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.771 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -67.61 -24.87 65.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -23.91 67.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.226 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.1 m -57.48 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.713 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.95 -28.7 10.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.662 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -167.19 32.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.81 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.13 76.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.28 113.59 26.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' ' 87' ' ' ILE . 9.5 pttt -95.7 139.51 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.749 ' CD1' HG13 ' A' ' 61' ' ' VAL . 20.6 mm -124.83 129.35 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.256 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 4' ' ' GLN . 0.5 OUTLIER -98.52 121.8 40.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.725 HG22 HG22 ' A' ' 58' ' ' VAL . 2.8 pp -134.18 159.68 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -135.91 139.68 43.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.43 . . . . 0.0 111.5 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.635 0.255 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -107.4 127.15 53.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 111.01 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -126.39 138.52 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 88' ' ' THR . 20.3 p -114.74 120.7 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.74 152.75 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.22 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 86' ' ' LYS . 42.9 p -111.07 116.07 30.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.2 mt -106.07 115.84 30.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.036 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -77.21 120.27 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -58.76 121.68 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -113.43 159.21 36.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 15.3 Cg_endo -57.14 142.14 94.37 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.612 2.208 . . . . 0.0 112.145 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.56 -28.94 11.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.389 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.792 ' CG ' HD22 ' A' ' 43' ' ' LEU . 2.4 m-85 -160.26 -75.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.328 . . . . 0.0 110.81 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.16 -84.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.702 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 1.2 t80 -59.69 -36.83 77.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.581 ' HA3' ' HB3' ' A' ' 48' ' ' ALA . . . 93.65 -22.46 35.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.709 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.848 HG22 HG12 ' A' ' 42' ' ' VAL . 2.3 pp -139.33 172.51 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.78 119.17 27.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.504 HD11 HG22 ' A' ' 75' ' ' VAL . 1.6 pt -77.75 166.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 134.02 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' HD12 ' A' ' 37' ' ' ILE . . . 151.52 -137.22 5.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.55 107.52 1.43 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.187 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.668 0.27 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.486 HD12 ' HA3' ' A' ' 23' ' ' GLY . 1.6 tp -71.71 145.87 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.9 t -133.36 159.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.771 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.478 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.0 pp -77.72 121.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 0.0 111.298 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.05 -61.26 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -147.72 154.48 40.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.848 HG12 HG22 ' A' ' 19' ' ' ILE . 29.6 m -128.72 155.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.792 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -82.89 -31.18 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HG2' HG23 ' A' ' 42' ' ' VAL . 3.7 mttm 63.29 33.39 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -143.8 15.07 2.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.709 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.63 -157.0 8.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.4 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.21 -25.54 36.88 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.53 2.154 . . . . 0.0 112.406 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.822 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -107.37 28.69 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -37.29 86.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.66 41.94 1.05 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.539 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -40.38 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.601 HD21 ' HB ' ' A' ' 87' ' ' ILE . 5.6 mp -118.44 125.77 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -149.0 173.59 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -32.71 3.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -41.29 96.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.696 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -92.78 87.61 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.18 132.03 52.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.669 ' HA ' HG22 ' A' ' 89' ' ' ILE . 23.8 t -82.07 139.03 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -125.26 -42.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -143.49 153.83 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.173 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 61' ' ' VAL . 11.5 p -142.01 123.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.22 32.28 7.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.95 -26.36 19.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.649 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.658 HG21 ' CD ' ' A' ' 77' ' ' GLN . 21.6 t -82.67 122.42 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -67.02 135.95 54.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.784 ' HE3' ' HB1' ' A' ' 74' ' ' ALA . 7.3 mtt -111.33 37.31 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.18 14.31 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.04 36.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.742 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 66' ' ' MET . 31.1 m -131.64 147.56 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 153.59 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 75' ' ' VAL . 38.2 t-80 -51.97 -48.99 64.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.17 88.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.93 -37.61 82.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.741 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.784 ' HB1' ' HE3' ' A' ' 66' ' ' MET . . . -73.44 -38.2 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 71' ' ' HIS . 20.8 t -67.33 -38.15 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.499 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -66.94 -28.59 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.658 ' CD ' HG21 ' A' ' 64' ' ' VAL . 20.8 mm100 -72.13 -50.08 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.38 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 75' ' ' VAL . 1.7 pp -67.84 -46.25 72.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.257 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 78' ' ' LEU . 21.3 ptt180 -66.33 -24.88 66.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -63.76 -24.7 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.074 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 m -54.41 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.56 -38.19 3.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.659 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 31.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -177.5 70.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.415 ' HB1' ' HE1' ' A' ' 17' ' ' PHE . . . -104.4 112.62 25.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.022 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.563 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.18 139.47 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.601 ' HB ' HD21 ' A' ' 52' ' ' LEU . 3.5 mp -128.28 131.71 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.313 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.643 HG23 HG22 ' A' ' 6' ' ' THR . 22.8 m -98.61 118.7 35.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.696 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.6 pp -130.63 162.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.53 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -136.38 146.01 46.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.835 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.5 tt0 . . . . . 0 C--O 1.227 -0.129 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.609 ' NE2' ' HB3' ' A' ' 59' ' ' ALA . 41.2 tt0 -106.62 134.55 49.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.094 0.473 . . . . 0.0 111.443 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -133.02 138.79 46.92 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.44 119.15 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.24 152.52 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 9.7 t -110.9 114.02 27.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 48' ' ' ALA . 10.2 mt -106.09 115.68 30.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -77.51 120.4 22.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -57.92 130.68 47.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.65 147.42 38.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.32 157.01 9.66 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.501 2.134 . . . . 0.0 112.28 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.61 -52.19 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.556 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.805 ' CD1' HD13 ' A' ' 43' ' ' LEU . 58.2 m-85 -111.79 -73.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.25 -101.2 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.695 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -64.09 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.556 ' CA ' HD21 ' A' ' 43' ' ' LEU . . . 92.5 -19.9 47.7 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.768 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.995 HG22 HG12 ' A' ' 42' ' ' VAL . 1.5 pt -138.77 172.71 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.335 . . . . 0.0 111.158 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.44 118.12 29.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.575 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -81.99 157.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.98 133.82 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.21 -144.45 10.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.42 89.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' CB ' ' HA ' ' A' ' 68' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.706 0.288 . . . . 0.0 111.39 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.787 0.327 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.617 HD12 ' N ' ' A' ' 37' ' ' ILE . 2.5 mp -88.4 113.9 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.68 166.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -84.67 115.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -70.64 -61.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.12 154.87 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.995 HG12 HG22 ' A' ' 19' ' ' ILE . 28.2 m -123.53 148.98 27.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.805 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -75.05 -29.17 60.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.008 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt 65.19 31.24 10.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.49 16.55 2.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.711 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.18 -171.06 12.46 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.78 -30.09 45.35 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.543 2.162 . . . . 0.0 112.4 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -109.44 32.12 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -31.85 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.68 27.07 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.572 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.23 -43.63 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.573 HD22 HG21 ' A' ' 89' ' ' ILE . 10.2 mt -118.6 121.01 39.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.47 173.68 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -51.23 -29.95 15.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -67.61 -29.91 69.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.697 ' HB3' HD13 ' A' ' 89' ' ' ILE . 2.6 m-20 -100.97 116.25 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 134.93 35.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.528 HG22 HG22 ' A' ' 89' ' ' ILE . 3.4 t -91.35 131.73 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.993 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.609 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . . . -111.01 -30.19 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -156.2 153.63 29.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 61' ' ' VAL . 11.6 p -141.82 119.34 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.33 32.44 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.17 82.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.874 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.1 t -100.98 126.61 54.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.07 131.71 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.471 ' HE3' ' HB1' ' A' ' 74' ' ' ALA . 12.9 mmt -104.72 25.18 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -124.76 21.44 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 25' ' ' ARG . 15.0 p30 176.11 52.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.412 HG21 ' CE ' ' A' ' 66' ' ' MET . 20.3 m -142.82 144.97 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.289 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 153.69 42.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.568 ' O ' HG12 ' A' ' 75' ' ' VAL . 86.4 t60 -59.17 -38.34 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -70.87 -36.38 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.35 -37.51 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB1' ' HE3' ' A' ' 66' ' ' MET . . . -73.38 -40.25 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.205 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 71' ' ' HIS . 12.2 p -71.98 -46.51 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.585 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' HG13 ' A' ' 75' ' ' VAL . 1.5 pp0? -59.94 -33.46 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -50.02 31.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.2 pp -66.81 -30.52 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.702 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.77 -24.9 63.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.223 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -63.87 -17.2 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.303 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.534 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . 66.7 m -52.14 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.758 0.313 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.18 -40.51 2.52 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 31.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -177.98 70.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HB2' ' CB ' ' A' ' 81' ' ' SER . . . -103.65 109.0 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 2.8 ptmt -94.36 133.49 37.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.757 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 52' ' ' LEU . 2.8 mp -130.8 137.19 56.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.325 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.4 120.72 39.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.249 179.532 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.5 pp -133.48 168.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.39 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.551 ' HG3' ' HA ' ' A' ' 4' ' ' GLN . 0.4 OUTLIER -132.45 138.3 47.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.709 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 C--O 1.23 0.066 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -107.0 127.13 53.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -129.23 139.18 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.627 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -103.71 122.26 44.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.89 153.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.55 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.1 t -122.68 112.46 17.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 87' ' ' ILE . 1.4 mt -105.93 116.71 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -76.38 104.51 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 38.4 mtp180 -47.78 116.59 1.53 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.65 155.75 41.68 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.54 148.67 14.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.665 2.243 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 15' ' ' PHE . . . 94.44 -44.83 2.24 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.552 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 15.8 m-85 -168.22 73.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.309 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -39.83 -54.59 2.92 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.703 ' CE1' HD22 ' A' ' 78' ' ' LEU . 5.9 t80 -70.15 -37.44 75.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.787 0.327 . . . . 0.0 111.057 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 66.97 5.72 34.19 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.265 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.993 HG23 HG12 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -136.49 165.05 29.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 117.111 0.455 . . . . 0.0 110.959 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 19' ' ' ILE . . . -113.52 118.0 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.66 136.54 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.495 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.48 133.91 37.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.71 -98.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 72.78 110.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.988 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.834 0.35 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 37' ' ' ILE . 3.9 mp -87.16 149.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 39' ' ' ILE . 10.9 t -142.2 162.05 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HG22 ' A' ' 19' ' ' ILE . 3.8 mp -81.44 122.19 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -79.39 -51.25 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.14 152.51 7.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.993 HG12 HG23 ' A' ' 19' ' ' ILE . 28.9 m -116.17 136.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.327 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -59.51 -21.22 59.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt 62.36 30.15 17.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.757 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.03 16.68 1.74 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.665 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.9 -154.94 8.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.378 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.11 -26.51 18.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.48 2.12 . . . . 0.0 112.38 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB3' HG13 ' A' ' 19' ' ' ILE . . . -111.09 26.16 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.388 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -51.67 -33.55 34.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.67 53.19 0.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -133.98 -49.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.651 HD23 HG21 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -105.66 124.51 49.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -151.7 173.72 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -54.2 -33.6 58.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -58.57 -30.3 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.91 119.45 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -83.65 136.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.87 138.93 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.81 -50.07 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.4 ttm -139.08 149.25 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.879 HG22 HG23 ' A' ' 87' ' ' ILE . 25.6 t -135.46 119.36 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.25 32.38 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -26.23 20.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.432 HG21 ' OE1' ' A' ' 77' ' ' GLN . 25.6 t -77.24 139.34 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.039 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.88 138.15 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.6 ' HG3' HG23 ' A' ' 61' ' ' VAL . 23.0 mmm -110.13 35.75 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -105.23 -9.96 17.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.542 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -167.77 68.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.398 . . . . 0.0 111.2 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CA ' ' HG2' ' A' ' 25' ' ' ARG . 27.0 m -142.93 142.25 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 8.3 pt-20 -73.8 147.86 43.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.824 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -43.31 -49.21 6.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.669 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.85 -43.74 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.355 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -68.92 -35.37 76.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.93 -39.89 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.89 -39.54 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.328 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 6.3 pt20 -68.2 -37.06 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' HG21 ' A' ' 64' ' ' VAL . 51.0 mm-40 -60.61 -50.14 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.703 HD22 ' CE1' ' A' ' 17' ' ' PHE . 4.3 pp -72.34 -31.24 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.507 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -64.84 -25.93 68.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -63.87 -26.7 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -54.66 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.11 -30.35 8.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.582 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.19 32.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 179.26 72.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.37 109.16 21.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -95.0 137.08 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 111.249 -179.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.879 HG23 HG22 ' A' ' 61' ' ' VAL . 4.2 mp -130.79 138.05 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.881 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.627 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.3 115.81 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.651 HG21 HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -126.35 155.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 147.3 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 7.4 mt-10 . . . . . 0 C--O 1.225 -0.216 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.653 ' HG2' HG22 ' A' ' 88' ' ' THR . 16.6 tt0 -106.63 129.25 54.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.16 0.505 . . . . 0.0 111.727 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -132.41 138.69 47.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.783 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -104.57 127.01 52.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.68 153.14 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 2.9 t -108.98 114.59 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.529 HD11 HD11 ' A' ' 52' ' ' LEU . 2.0 mt -106.1 111.65 24.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -58.33 147.99 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -127.68 159.13 67.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 34.5 Cg_endo -64.45 146.74 90.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.53 2.154 . . . . 0.0 112.3 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.56 -47.56 1.9 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -71.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.686 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.95 -94.37 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.62 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -37.22 77.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.082 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 80.55 -8.42 54.56 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.279 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.99 HG22 HG12 ' A' ' 42' ' ' VAL . 1.1 pt -140.46 166.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.997 0.399 . . . . 0.0 111.198 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 118.29 34.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.57 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.9 mp -81.35 135.69 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -133.24 146.02 51.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.35 -146.42 17.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.0 116.88 2.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.858 0.361 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.913 HD11 HG23 ' A' ' 69' ' ' VAL . 25.8 mt -89.34 143.89 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 39' ' ' ILE . 10.0 p -140.79 158.44 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.493 ' N ' HG22 ' A' ' 38' ' ' VAL . 26.2 mm -78.51 122.06 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.39 154.89 42.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.99 HG12 HG22 ' A' ' 19' ' ' ILE . 34.6 m -129.95 135.64 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.676 HD12 ' H ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -60.3 -26.9 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.997 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tptt 67.32 29.18 7.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.676 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -142.96 13.88 2.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.682 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -121.7 -164.2 12.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.41 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.34 -27.47 85.08 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.634 2.223 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.94 36.43 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.48 -39.16 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.78 35.44 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.446 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -108.47 -37.97 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.529 HD11 HD11 ' A' ' 9' ' ' LEU . 55.2 mt -120.86 131.71 54.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.73 173.81 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.57 -30.24 29.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -28.03 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.408 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -96.82 116.64 29.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -84.09 114.21 21.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.198 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 89' ' ' ILE . 31.1 t -75.99 130.97 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.62 -15.36 7.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttm -159.02 144.1 15.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.945 0.402 . . . . 0.0 111.517 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 87' ' ' ILE . 85.5 t -140.27 120.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.587 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 58.68 32.29 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.77 -17.12 56.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.881 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.619 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.3 t -88.1 135.85 24.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -65.36 143.02 58.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.754 ' HG3' HG23 ' A' ' 61' ' ' VAL . 17.8 mmt -121.73 27.48 8.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -114.04 21.81 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.78 39.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.913 HG23 HD11 ' A' ' 37' ' ' ILE . 28.0 m -129.71 158.03 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.61 153.52 40.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.801 ' O ' HG23 ' A' ' 75' ' ' VAL . 32.6 p-80 -54.47 -50.03 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.13 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.52 -39.28 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.455 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 71' ' ' HIS . 21.4 t -72.04 -38.99 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.45 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -66.29 -28.0 68.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.619 ' CG ' HG21 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -67.71 -50.34 58.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.78 -31.36 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.519 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.5 ttt-85 -65.48 -28.66 69.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -27.27 69.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.7 m -59.08 -72.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.81 -28.71 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.535 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -166.47 31.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m120 178.97 72.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.49 110.76 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -90.23 134.9 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 61' ' ' VAL . 40.8 mt -130.85 127.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 4' ' ' GLN . 1.4 m -98.47 133.44 42.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.7 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.687 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 pp -139.15 166.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -136.3 137.79 41.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 111.43 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.663 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.133 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.722 ' HG2' HG22 ' A' ' 88' ' ' THR . 13.8 tt0 -106.95 133.58 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.16 0.505 . . . . 0.0 111.651 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -133.07 139.0 46.92 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.763 HG23 ' OG1' ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.65 119.03 38.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.67 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.32 139.23 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 8' ' ' THR . 11.6 t -95.27 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 48' ' ' ALA . 26.3 mt -106.03 115.21 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -75.58 117.09 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -59.23 128.76 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -119.93 159.15 48.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 32.3 Cg_endo -63.95 142.61 82.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.633 2.222 . . . . 0.0 112.28 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.49 -28.5 15.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.83 ' CG ' HD13 ' A' ' 43' ' ' LEU . 66.7 m-85 -144.47 -69.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.33 -101.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.732 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -59.44 -37.19 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.72 0.295 . . . . 0.0 111.088 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.734 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 87.45 -19.18 33.49 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.098 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.026 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -130.87 172.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.82 131.66 47.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG2' HG21 ' A' ' 37' ' ' ILE . 29.7 mm -79.59 141.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.77 134.01 27.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.37 -135.42 9.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.46 135.92 4.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 3.9 ptt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 111.104 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.901 0.381 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 69' ' ' VAL . 20.5 mm -83.35 155.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.196 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.402 ' N ' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -128.6 166.09 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.137 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 mm -87.13 117.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.29 154.88 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.026 HG12 HG22 ' A' ' 19' ' ' ILE . 29.8 m -122.13 143.64 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.83 HD13 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -67.37 -26.82 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.975 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.33 30.65 6.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.44 18.97 1.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.726 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.94 -168.38 11.3 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 9' ' ' LEU . 58.3 Cg_exo -51.56 -28.0 27.21 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.54 2.16 . . . . 0.0 112.328 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -112.11 33.96 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.54 -48.67 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.04 33.36 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.588 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.31 -43.7 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.927 ' HB2' HG21 ' A' ' 19' ' ' ILE . 2.1 mt -120.79 114.21 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.7 173.79 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.31 -30.65 7.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.45 -31.1 71.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.567 ' HB3' HD13 ' A' ' 89' ' ' ILE . 3.9 m-20 -100.05 115.81 30.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.657 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -81.16 120.62 25.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.767 ' HA ' HG22 ' A' ' 89' ' ' ILE . 10.8 p -79.34 130.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.78 -26.54 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -149.74 149.45 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.965 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 87' ' ' ILE . 22.3 t -141.83 119.39 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 58.42 32.36 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 4.38 85.54 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.66 127.94 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.797 0.332 . . . . 0.0 111.06 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.95 143.03 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.475 ' CG ' HG23 ' A' ' 61' ' ' VAL . 23.8 mmt -114.54 30.19 7.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.23 16.98 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -178.96 37.84 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.789 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.628 ' O ' HD11 ' A' ' 37' ' ' ILE . 3.6 t -132.88 153.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.42 148.94 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 72' ' ' ALA . 9.6 p-80 -51.85 -38.32 55.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 71' ' ' HIS . . . -65.03 -40.56 95.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.492 ' HB2' HG12 ' A' ' 69' ' ' VAL . 3.3 m-85 -67.73 -35.96 79.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.36 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.358 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 76' ' ' GLN . 11.8 p -65.29 -42.89 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.352 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 75' ' ' VAL . 11.3 pt20 -60.51 -29.91 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.12 -50.16 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.844 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.1 pp -68.15 -30.69 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.996 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.844 ' N ' HD12 ' A' ' 78' ' ' LEU . 24.0 ttt180 -64.14 -28.65 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -68.01 -22.05 65.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -50.86 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.51 7.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -172.7 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -178.77 64.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.49 108.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -93.78 137.82 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.093 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.744 HD13 HD12 ' A' ' 9' ' ' LEU . 3.8 mp -130.98 129.82 63.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.763 ' OG1' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.46 130.37 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.7 pp -143.1 166.88 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.441 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -129.87 140.88 50.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.759 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 26.2 mm-40 . . . . . 0 C--O 1.227 -0.118 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.581 ' HG2' HG22 ' A' ' 88' ' ' THR . 7.1 tt0 -106.89 126.9 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.012 0.434 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -129.87 138.77 51.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.649 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.69 ' HB ' HG23 ' A' ' 88' ' ' THR . 11.2 t -108.2 115.11 29.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -113.24 150.26 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 7.1 m -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.8 mt -106.29 116.64 32.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -65.09 116.19 6.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -58.2 145.64 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.972 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.08 136.72 28.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 159.96 6.6 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.451 2.101 . . . . 0.0 112.188 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.93 -54.37 4.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.697 ' CD1' HD22 ' A' ' 43' ' ' LEU . 41.1 m-85 -104.59 -70.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.827 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.76 -96.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.575 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.665 ' CE1' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -98.14 -26.99 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.677 0.275 . . . . 0.0 110.952 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.564 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 114.69 -20.08 15.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.645 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.056 HG22 HG12 ' A' ' 42' ' ' VAL . 2.7 pt -127.97 172.53 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 118.19 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 tt -72.91 133.29 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.429 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -133.57 133.88 42.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.93 -166.4 25.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.88 114.7 0.94 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 111.134 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.837 0.351 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.69 HD12 ' SD ' ' A' ' 66' ' ' MET . 33.4 mt -103.49 138.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.5 p -142.04 161.28 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.525 ' N ' HG22 ' A' ' 38' ' ' VAL . 2.9 mp -74.33 123.61 30.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.976 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -46.57 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.53 154.93 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.056 HG12 HG22 ' A' ' 19' ' ' ILE . 32.1 m -130.39 151.4 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.258 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -77.41 -29.22 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 64.49 33.16 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -147.58 16.62 1.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.723 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.73 -156.09 8.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.37 -30.91 29.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.539 2.159 . . . . 0.0 112.156 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -104.78 28.93 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.01 -39.41 78.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.2 32.19 2.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -109.31 -38.0 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 89' ' ' ILE . 5.7 mt -120.94 123.85 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' N ' HD13 ' A' ' 39' ' ' ILE . 1.1 pt20 -146.68 173.64 12.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.25 -35.19 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.71 70.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.497 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -96.67 107.7 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.81 134.89 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.942 HG11 ' HE2' ' A' ' 66' ' ' MET . 18.2 t -87.12 132.56 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.578 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . . . -114.86 -35.04 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.362 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.4 ttm -152.95 147.41 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.906 HG12 HG23 ' A' ' 87' ' ' ILE . 15.7 m -136.97 125.52 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 t30 51.49 31.87 8.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.434 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.67 -26.29 22.66 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.403 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 61' ' ' VAL . 11.8 p -85.55 145.12 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.455 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -73.75 142.96 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.942 ' HE2' HG11 ' A' ' 58' ' ' VAL . 2.9 mmm -117.17 25.21 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.0 24.92 9.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 178.88 42.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 37' ' ' ILE . 29.7 m -141.36 153.08 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.28 153.68 33.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -52.97 -38.64 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.77 -35.35 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.09 57.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.483 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 76' ' ' GLN . 14.5 p -66.16 -42.7 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.498 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 75' ' ' VAL . 14.2 pt20 -60.99 -35.03 75.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.965 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -70.14 -50.09 43.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.665 HD13 ' CE1' ' A' ' 17' ' ' PHE . 4.4 pp -69.65 -30.67 68.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.639 ' N ' HD12 ' A' ' 78' ' ' LEU . 20.9 mtm180 -69.1 -25.09 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.033 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -23.37 67.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -54.33 -79.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.051 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.71 -29.75 8.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.89 31.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 178.32 79.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.392 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.81 110.62 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.82 132.35 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.906 HG23 HG12 ' A' ' 61' ' ' VAL . 38.2 mt -124.05 131.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.69 HG23 ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.47 120.46 38.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.661 HG21 HD23 ' A' ' 52' ' ' LEU . 2.8 pp -132.04 164.59 34.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.349 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -135.21 148.92 49.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.768 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.3 tt0 . . . . . 0 C--O 1.227 -0.117 0 CA-C-O 120.56 0.219 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.548 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 50.8 tt0 -106.36 127.4 53.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.109 0.481 . . . . 0.0 111.279 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -131.58 139.01 49.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.749 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.28 124.78 49.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.797 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.59 142.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -99.66 116.08 30.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' HB2' ' A' ' 48' ' ' ALA . 2.4 mt -106.06 115.49 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -73.69 122.59 22.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -63.66 144.38 57.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.96 142.84 34.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 146.51 60.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.457 2.104 . . . . 0.0 112.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.16 -61.28 4.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.626 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.38 -70.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.22 -109.23 1.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -80.68 -27.57 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.915 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.468 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 91.9 -20.56 41.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.077 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.689 HG22 ' CG1' ' A' ' 42' ' ' VAL . 1.1 pt -119.28 172.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.44 118.18 22.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 21' ' ' ILE . 2.6 pp -77.81 152.03 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.84 134.03 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.76 -140.01 8.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.96 122.65 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.778 0.323 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.791 HD11 HG23 ' A' ' 69' ' ' VAL . 3.7 mp -75.98 147.57 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.4 p -141.27 159.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -75.0 113.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -72.34 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.16 154.53 37.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.689 ' CG1' HG22 ' A' ' 19' ' ' ILE . 35.5 m -129.64 136.29 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -59.51 -24.63 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.996 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 31.95 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.776 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.3 17.2 1.32 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.748 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.08 -155.39 9.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 -27.11 22.87 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.172 . . . . 0.0 112.365 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.648 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -115.76 35.32 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -57.29 -37.83 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.09 31.54 2.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.94 -38.9 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.768 HD11 HD12 ' A' ' 87' ' ' ILE . 26.8 mt -121.0 133.24 55.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -151.94 173.67 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.62 -30.43 21.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -64.58 -31.67 72.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 89' ' ' ILE . 9.6 m-20 -95.53 113.81 25.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.694 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -82.96 116.68 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.843 ' HA ' HG22 ' A' ' 89' ' ' ILE . 21.2 t -75.99 123.2 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.67 -21.66 10.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.522 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.6 ttp -154.49 153.35 31.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.92 0.39 . . . . 0.0 111.073 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 61' ' ' VAL . 10.5 p -142.02 119.66 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.837 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t30 53.74 32.21 14.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.68 -26.18 21.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.772 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.21 127.27 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.363 . . . . 0.0 111.323 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 m -56.86 143.03 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.79 ' SD ' HD13 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -115.96 31.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.31 26.29 7.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -178.67 38.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.791 HG23 HD11 ' A' ' 37' ' ' ILE . 12.6 m -134.69 154.54 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 153.64 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -54.24 -41.88 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -68.12 -45.81 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.436 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -60.12 -36.51 77.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.067 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -53.42 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.545 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 72' ' ' ALA . 11.0 p -55.88 -40.88 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.472 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -67.5 -25.15 65.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.219 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -50.46 29.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.052 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -38.97 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.813 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -64.99 -24.99 67.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -63.69 -22.16 66.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.093 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.8 m -54.3 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.6 -33.89 6.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -165.1 31.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -179.41 69.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.92 108.1 19.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.582 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -96.15 136.39 36.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.768 HD12 HD11 ' A' ' 52' ' ' LEU . 36.3 mt -130.21 131.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.749 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.44 123.93 42.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.843 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.8 pp -136.04 159.68 38.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -121.26 133.72 55.15 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.034 0.445 . . . . 0.0 111.324 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.798 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 59.2 tt0 . . . . . 0 C--O 1.227 -0.131 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.594 ' CB ' ' HG3' ' A' ' 90' ' ' ARG . 11.4 tt0 -106.28 137.49 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.256 0.55 . . . . 0.0 111.818 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -133.15 138.79 46.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.497 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.536 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -107.03 121.7 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.97 143.0 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -98.5 116.71 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 48' ' ' ALA . 14.3 mt -106.16 114.56 28.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -74.91 116.2 15.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 118.11 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.51 159.2 33.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -59.38 148.13 88.02 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.566 2.178 . . . . 0.0 112.237 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.24 -34.72 5.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.385 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 43' ' ' LEU . 3.3 m-85 -156.5 -56.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.98 -89.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.659 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.573 ' HD2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -59.38 -37.07 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 0.0 111.132 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.757 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.1 -22.04 28.01 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 113.056 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.022 HG22 HG12 ' A' ' 42' ' ' VAL . 1.5 pt -124.03 161.02 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 111.292 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 119.02 36.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 74' ' ' ALA . 42.4 pt -82.1 136.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -124.17 133.95 53.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.8 -157.11 26.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.32 115.63 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 0.0 111.066 -179.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 22' ' ' SER . 29.0 mt -79.05 132.06 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.16 160.62 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -76.71 110.23 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -61.3 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -156.37 154.88 31.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 1.022 HG12 HG22 ' A' ' 19' ' ' ILE . 17.9 m -122.62 138.74 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.869 ' HD3' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER 65.84 28.77 10.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.797 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.6 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -140.69 12.49 2.93 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.719 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.34 -171.47 12.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.5 -29.4 40.02 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.538 2.159 . . . . 0.0 112.372 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.808 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -103.7 25.27 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.98 -43.52 91.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.65 52.84 0.72 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.561 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -130.52 -46.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.916 ' HB2' HG21 ' A' ' 19' ' ' ILE . 33.6 mt -113.77 120.32 40.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -151.12 173.67 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -50.55 -29.46 10.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -27.75 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.93 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.787 ' HB3' HD13 ' A' ' 89' ' ' ILE . 3.9 m-20 -108.04 121.49 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.78 127.12 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.617 ' HA ' HG22 ' A' ' 89' ' ' ILE . 18.5 t -81.81 139.1 18.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB3' HE21 ' A' ' 4' ' ' GLN . . . -121.17 -43.27 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.4 ttp -146.74 152.47 38.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.993 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.093 HG22 HG23 ' A' ' 87' ' ' ILE . 47.4 t -141.97 121.99 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 53.85 31.88 14.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.73 -25.84 25.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.386 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 61' ' ' VAL . 12.1 p -85.58 137.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.457 . . . . 0.0 111.575 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.4 p -77.19 143.2 39.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.48 ' SD ' HG11 ' A' ' 58' ' ' VAL . 8.7 mtt -110.45 29.16 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.46 10.89 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -179.57 46.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.665 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.664 HG23 HD11 ' A' ' 37' ' ' ILE . 13.9 m -134.0 152.39 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.65 153.54 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.904 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.5 p80 -55.54 -47.07 76.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.752 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.92 -40.05 91.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 21' ' ' ILE . . . -73.36 -33.73 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 71' ' ' HIS . 38.7 t -69.17 -48.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -59.78 -29.68 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.04 -50.01 32.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.4 pp -71.89 -30.69 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.799 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -72.66 -25.67 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -27.29 69.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 m -57.72 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.61 -29.19 10.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -173.81 35.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -177.14 64.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.07 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -92.04 139.62 30.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.978 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 1.093 HG23 HG22 ' A' ' 61' ' ' VAL . 3.3 mp -130.79 133.4 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.536 HG23 HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -98.46 127.98 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.787 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.8 pp -140.4 163.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -123.8 136.1 54.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 111.237 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.691 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.044 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -107.36 127.61 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -132.99 138.64 46.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.699 ' HB ' HG23 ' A' ' 88' ' ' THR . 2.3 t -116.53 118.03 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.628 HG21 ' OE1' ' A' ' 51' ' ' GLN . 21.6 t -118.66 149.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.222 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.3 m -104.24 117.94 35.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.991 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 ' CD1' ' A' ' 87' ' ' ILE . 2.9 mt -106.28 115.04 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -76.68 121.52 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 17.2 mtp-105 -60.35 128.94 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.52 146.13 46.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.88 150.22 30.88 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.532 2.154 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.81 -51.7 3.86 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.574 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.826 ' CD1' HD13 ' A' ' 43' ' ' LEU . 79.1 m-85 -106.47 -76.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.95 -108.34 1.73 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.697 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -67.76 -35.74 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.763 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 94.4 -23.33 32.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.833 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.904 HG22 HG12 ' A' ' 42' ' ' VAL . 2.6 pp -130.69 156.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 111.218 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.39 132.28 55.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' HB ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -91.08 162.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.93 134.05 19.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.7 -138.97 8.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 118.26 93.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.998 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.7 0.285 . . . . 0.0 111.615 -179.258 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.768 0.318 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.448 HG21 ' HE1' ' A' ' 66' ' ' MET . 30.3 mm -103.26 143.76 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.1 t -141.84 159.03 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.605 HD13 ' O ' ' A' ' 53' ' ' GLN . 3.8 mp -74.03 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.31 -54.49 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.27 154.93 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.904 HG12 HG22 ' A' ' 19' ' ' ILE . 21.1 m -131.11 137.37 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.289 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.826 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -61.72 -27.89 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HG2' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 61.71 28.22 17.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.731 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -141.95 13.32 2.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.734 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.64 -158.09 9.52 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.41 -28.03 46.71 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 112.211 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.636 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -110.15 32.32 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.026 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.59 76.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.32 28.94 2.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.628 ' OE1' HG21 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -98.07 -39.37 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.796 ' HB2' HG21 ' A' ' 19' ' ' ILE . 15.8 mt -120.9 125.21 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.605 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -149.24 173.74 13.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.95 -33.73 52.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -59.4 -29.65 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.637 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -108.02 99.95 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -64.03 140.26 58.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.771 ' HA ' HG22 ' A' ' 89' ' ' ILE . 19.7 t -88.21 130.64 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -113.8 -36.28 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttp -149.85 149.34 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.085 HG12 HG23 ' A' ' 87' ' ' ILE . 13.5 m -138.3 119.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 56.23 32.3 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.38 4.47 80.56 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.987 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.464 HG21 ' HG2' ' A' ' 77' ' ' GLN . 21.5 t -109.74 131.2 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.861 0.362 . . . . 0.0 111.161 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.1 142.98 53.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.587 ' HG2' HG22 ' A' ' 61' ' ' VAL . 10.0 mmm -123.79 37.71 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -119.85 22.75 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t30 173.91 48.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.876 0.369 . . . . 0.0 110.738 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.15 152.97 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 23.3 tt0 -68.72 153.11 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.417 ' CE1' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -57.78 -43.81 85.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -67.99 -38.09 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -34.4 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.476 ' HB1' ' SD ' ' A' ' 66' ' ' MET . . . -73.37 -45.9 52.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.655 ' HB ' HD11 ' A' ' 21' ' ' ILE . 10.1 p -66.18 -44.96 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.9 -23.99 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.464 ' HG2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -71.92 -50.17 31.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 21' ' ' ILE . 4.2 pp -72.38 -32.45 66.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.5 ttt180 -72.32 -25.01 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.919 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -19.53 65.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 6.5 m -52.62 -67.47 0.25 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.41 -43.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.582 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -166.74 32.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.86 65.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 81' ' ' SER . . . -97.95 106.59 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.05 139.71 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 1.085 HG23 HG12 ' A' ' 61' ' ' VAL . 4.1 mp -129.89 131.51 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.225 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.699 HG23 ' HB ' ' A' ' 6' ' ' THR . 1.4 m -98.64 121.21 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.1 pp -129.03 165.66 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.459 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.708 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.09 147.36 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.22 -28.14 23.43 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.508 2.139 . . . . 0.0 112.355 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -176.16 131.1 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.957 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -133.71 13.85 4.75 Favored Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.755 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.04 30.97 17.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.801 0.334 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.72 -64.51 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.976 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 61.24 50.11 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.63 120.35 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.804 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -108.3 148.12 30.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.264 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -130.89 150.93 51.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.489 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -107.66 127.22 53.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.848 0.356 . . . . 0.0 111.038 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -133.1 137.21 46.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.803 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.524 HG23 ' OG1' ' A' ' 88' ' ' THR . 6.1 m -114.47 128.07 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.75 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -128.86 148.64 33.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.202 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.688 HG23 ' HB3' ' A' ' 86' ' ' LYS . 0.2 OUTLIER -97.47 118.92 35.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.871 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.08 HD13 ' HB2' ' A' ' 48' ' ' ALA . 51.2 mt -99.54 111.75 24.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.063 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -80.61 116.17 20.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.76 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.07 131.54 36.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.242 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -131.03 155.66 81.24 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.087 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -51.55 142.18 40.24 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.587 2.191 . . . . 0.0 112.373 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 111.98 -40.74 2.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.631 ' CG ' HD22 ' A' ' 43' ' ' LEU . 4.8 m-85 -153.85 -66.44 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.01 -77.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.552 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.9 OUTLIER -59.51 -37.14 77.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.758 0.313 . . . . 0.0 111.034 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.707 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 89.62 -23.53 19.07 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 113.084 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.043 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -130.24 166.77 26.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.804 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -113.38 118.13 33.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.3 pp -65.35 147.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.342 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.01 133.91 11.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.764 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.59 -113.13 1.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.66 126.66 4.09 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -71.08 -33.25 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.92 39.7 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -94.3 170.4 8.3 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.98 -42.42 58.55 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.497 2.132 . . . . 0.0 112.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -123.23 133.69 54.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -145.01 160.89 40.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -123.06 126.05 46.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.9 m -73.09 116.81 14.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.07 11.59 6.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.453 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -145.46 -73.11 0.24 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.939 0.399 . . . . 0.0 110.636 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p 49.8 35.23 8.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.254 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.5 p -108.18 134.88 50.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.031 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.89 HD12 ' HG3' ' A' ' 66' ' ' MET . 50.6 mt -74.22 150.09 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 39' ' ' ILE . 14.8 t -139.13 160.96 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.492 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.6 mp -84.99 120.23 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.224 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -59.1 3.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -149.46 154.97 39.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.043 HG12 HG22 ' A' ' 19' ' ' ILE . 30.6 m -123.57 145.47 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.707 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -69.44 -28.83 66.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.029 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.73 30.4 10.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.563 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -145.74 17.5 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.734 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.61 -154.01 7.46 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.32 -28.91 32.75 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.538 2.158 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.08 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -108.27 31.38 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -59.05 -48.38 81.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.05 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.86 59.08 0.68 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.543 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -139.6 -46.98 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.767 ' CD1' HD11 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -110.39 116.02 30.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -151.88 173.66 14.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -51.34 -31.43 21.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -60.35 -28.37 68.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.663 ' HB3' HD13 ' A' ' 89' ' ' ILE . 2.1 m-20 -116.39 125.87 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.548 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' CG ' ' HG2' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -90.84 127.37 36.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.009 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.746 HG22 HG22 ' A' ' 89' ' ' ILE . 22.0 t -76.02 139.05 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.24 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.806 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -117.65 -37.86 3.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 35.3 ttp -142.84 148.56 37.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 87' ' ' ILE . 28.3 t -135.68 120.54 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 55.31 32.27 18.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.26 -25.57 21.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.707 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.542 HG21 ' HG2' ' A' ' 77' ' ' GLN . 20.3 t -80.17 138.79 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.127 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.7 m -73.75 137.06 43.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.89 ' HG3' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -113.15 29.88 7.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.951 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.98 23.87 12.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.951 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -178.8 37.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.801 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG23 HD11 ' A' ' 37' ' ' ILE . 20.7 m -141.58 156.86 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.076 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -78.3 153.59 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -53.74 -38.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -50.51 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 39.7 t80 -60.2 -35.95 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -53.26 11.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.579 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.4 -37.79 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.642 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 4.7 pt20 -64.42 -25.6 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.73 0.3 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.542 ' HG2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -72.02 -50.2 30.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.127 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 pp -71.49 -30.67 66.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.3 mtp180 -64.44 -27.37 68.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -22.86 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -51.75 -74.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.82 -26.01 22.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.603 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.64 34.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.774 0.321 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -177.97 61.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.732 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.74 102.28 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.688 ' HB3' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -95.91 139.65 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 61' ' ' VAL . 31.0 mt -130.94 136.76 57.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.524 ' OG1' HG23 ' A' ' 6' ' ' THR . 61.0 m -98.5 116.58 31.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.746 HG22 HG22 ' A' ' 58' ' ' VAL . 2.8 pp -124.99 159.57 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.067 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.806 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.03 148.94 47.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.052 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.05 160.34 42.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.841 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.53 -57.06 0.89 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.037 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.0 mttm . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.955 -179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -62.74 74.92 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.797 2.331 . . . . 0.0 112.34 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 11.3 mt 62.83 125.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 173.41 95.71 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.24 171.13 14.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -86.02 162.18 18.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.07 15.88 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.8 mm -104.9 119.89 54.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.696 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 48.1 p90 -102.35 139.34 38.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.552 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 25.6 tt0 -112.93 150.29 32.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.38 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.517 ' HG2' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -106.63 128.92 54.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.099 0.476 . . . . 0.0 111.499 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -132.37 138.63 47.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.626 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.9 t -111.01 124.09 51.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.552 HG11 HE22 ' A' ' 51' ' ' GLN . 21.7 t -122.59 150.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.015 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.96 112.52 25.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.061 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.456 HD13 HD12 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -106.29 116.42 31.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.0 p-80 -76.33 131.35 39.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.757 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -58.05 119.95 7.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.924 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.56 159.06 33.66 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.4 Cg_endo -59.16 146.85 93.13 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.115 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.55 -31.48 8.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.22 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.629 ' CG ' HD22 ' A' ' 43' ' ' LEU . 2.1 t80 -165.79 -50.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.334 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.8 -77.44 0.25 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.529 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.789 ' CZ ' HD22 ' A' ' 78' ' ' LEU . 1.7 t80 -59.45 -37.15 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.813 0.339 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.629 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.19 -20.88 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.885 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.746 HG22 ' CG1' ' A' ' 42' ' ' VAL . 1.2 pt -139.05 172.57 13.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.898 0.38 . . . . 0.0 111.096 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.64 118.15 25.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.977 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.9 pt -77.37 159.47 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.09 134.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.34 -147.67 19.21 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.11 118.94 1.93 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.443 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -31.97 67.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.79 0.329 . . . . 0.0 110.997 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -102.22 34.93 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -88.29 165.24 29.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -51.71 -33.55 50.12 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.584 2.189 . . . . 0.0 112.236 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.11 153.92 27.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -127.11 135.38 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -123.56 119.66 30.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -94.72 138.83 32.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.09 10.16 8.34 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.906 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -179.22 -57.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.704 0.288 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 50.38 28.66 3.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.03 146.19 29.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.667 HG22 ' HB3' ' A' ' 66' ' ' MET . 1.2 tp -71.85 143.47 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.3 p -125.93 158.74 34.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.015 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.482 ' N ' HG22 ' A' ' 38' ' ' VAL . 3.1 mp -83.34 116.94 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.07 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 63.7 p -74.73 -65.32 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -144.08 154.91 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.746 ' CG1' HG22 ' A' ' 19' ' ' ILE . 27.0 m -130.33 150.29 34.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.629 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -72.6 -30.06 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.3 tttt 65.68 31.47 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.06 16.81 1.94 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.668 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -135.36 -168.38 11.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.52 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.54 -32.4 43.59 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.581 2.188 . . . . 0.0 112.308 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.659 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -104.18 29.05 6.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.056 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -57.85 -32.1 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.033 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.17 26.59 0.7 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.547 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.552 HE22 HG11 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -94.54 -38.4 10.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.867 0.365 . . . . 0.0 110.767 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 87' ' ' ILE . 5.2 mt -120.95 125.14 46.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -151.86 173.69 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.32 -25.52 24.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -58.4 -29.28 65.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.48 -169.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.602 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -146.13 121.09 10.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.058 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.73 HG22 ' CG2' ' A' ' 89' ' ' ILE . 30.5 t -77.82 129.84 36.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.72 -7.23 7.95 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.7 ttp -159.92 147.07 16.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.923 0.392 . . . . 0.0 111.302 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.494 HG13 ' O ' ' A' ' 61' ' ' VAL . 13.0 p -141.87 120.3 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.834 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.4 t30 56.27 32.23 19.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.942 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.86 -19.49 48.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.93 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.89 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.908 0.385 . . . . 0.0 111.356 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.88 143.05 56.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.667 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.0 mmm -117.46 29.69 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.83 12.49 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.25 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 t30 178.98 48.05 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.867 0.365 . . . . 0.0 110.754 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.8 m -126.44 147.85 31.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.27 150.63 43.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.49 ' O ' HG12 ' A' ' 75' ' ' VAL . 61.2 t60 -53.32 -41.38 65.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.068 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -69.27 -36.26 76.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.21 -38.02 72.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.521 ' HB1' ' CE ' ' A' ' 66' ' ' MET . . . -73.43 -39.89 64.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.332 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' O ' ' A' ' 71' ' ' HIS . 13.5 p -71.88 -44.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.479 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.469 ' N ' HG13 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -63.77 -25.05 68.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.227 -179.797 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -72.1 -50.11 30.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.185 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.789 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 3.7 pp -72.21 -30.71 65.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.17 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -63.11 -27.34 69.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -25.18 68.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.205 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.9 m -53.49 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.088 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.53 -28.14 11.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.691 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.72 30.28 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.878 0.37 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t30 175.88 80.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.09 112.05 23.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.003 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.31 138.79 31.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.958 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.542 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 18.3 mt -129.42 128.35 66.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.517 HG22 ' HG2' ' A' ' 4' ' ' GLN . 6.4 m -98.37 128.83 44.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.806 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.73 ' CG2' HG22 ' A' ' 58' ' ' VAL . 2.7 pp -139.63 166.61 20.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.552 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 1.1 mpp_? -134.04 148.96 51.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.022 0.439 . . . . 0.0 111.252 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.402 ' N ' ' HD3' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -146.93 156.03 42.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.814 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.77 -73.05 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.826 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.9 pttm . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.422 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.72 -54.51 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.478 2.119 . . . . 0.0 112.287 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 57.74 105.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.992 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 73.69 157.41 4.64 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 25.7 p -162.14 30.65 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.858 0.361 . . . . 0.0 110.977 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 59.42 174.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -122.57 30.53 6.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 1' ' ' ILE . 9.1 tp -91.66 126.95 44.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.007 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 3.8 p90 -96.4 134.7 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.029 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.9 OUTLIER -112.94 152.14 29.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.537 179.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -107.57 133.85 51.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.977 0.418 . . . . 0.0 111.187 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -128.16 136.77 51.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.663 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.569 HG23 HG23 ' A' ' 88' ' ' THR . 0.3 OUTLIER -104.63 120.17 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.808 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.69 151.97 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 p -116.18 114.63 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.159 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' ' 48' ' ' ALA . 3.8 mt -106.21 115.31 30.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' A' ' 47' ' ' PRO . 28.4 p-80 -75.89 125.99 30.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.812 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -62.73 122.94 17.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.78 142.35 35.86 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -55.49 148.39 53.08 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.489 2.126 . . . . 0.0 112.292 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.11 -59.12 4.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.602 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.655 ' CD1' HD13 ' A' ' 43' ' ' LEU . 22.2 m-85 -83.36 -77.24 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.747 0.308 . . . . 0.0 110.944 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.31 -104.74 0.92 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.761 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -90.28 -29.71 17.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 0.0 110.993 -179.714 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.743 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 106.71 -22.8 29.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.381 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.848 HD13 HD12 ' A' ' 39' ' ' ILE . 2.6 pp -135.35 163.86 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.361 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -114.13 137.11 52.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.596 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -95.48 145.7 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.117 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -138.23 134.01 33.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.846 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.21 -149.55 20.54 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.561 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.25 129.03 2.94 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.383 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -71.51 -27.56 63.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.752 0.31 . . . . 0.0 111.111 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.63 25.42 5.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 55.7 p30 -65.19 161.65 47.1 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.804 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 27' ' ' ASN . 74.3 Cg_exo -49.79 -27.21 15.02 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.589 2.193 . . . . 0.0 112.46 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -145.32 124.41 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.442 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 2.0 p90 -142.37 161.61 37.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.967 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.82 138.04 33.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.791 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.9 m -73.09 154.58 40.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.0 -6.99 12.0 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.867 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -151.41 -55.85 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.693 0.282 . . . . 0.0 110.891 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.2 p 54.03 36.95 25.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.1 p -133.86 150.99 51.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 22' ' ' SER . 4.6 mt -92.06 132.25 36.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.019 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 m -122.02 166.0 17.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.848 HD12 HD13 ' A' ' 19' ' ' ILE . 27.0 mm -76.13 118.36 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -67.16 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -140.42 153.98 46.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.782 ' CG1' HG22 ' A' ' 19' ' ' ILE . 26.9 m -128.01 155.19 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.276 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.743 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -83.57 -15.58 48.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.304 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' CG ' ' O ' ' A' ' 43' ' ' LEU . 28.3 pttt 45.89 38.04 4.12 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.81 0.338 . . . . 0.0 111.348 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.75 22.73 0.62 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.659 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -139.35 -149.18 5.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.431 ' HB3' ' CE1' ' A' ' 10' ' ' HIS . 57.1 Cg_endo -70.7 -28.48 20.68 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.563 2.176 . . . . 0.0 112.417 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.614 ' HB1' HG23 ' A' ' 19' ' ' ILE . . . -113.53 34.34 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.122 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -40.19 73.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.19 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.51 24.21 2.01 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.589 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -86.32 -45.37 11.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 110.724 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD21 ' HB ' ' A' ' 87' ' ' ILE . 3.5 mp -120.91 125.18 46.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.06 173.82 11.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -50.63 -30.85 14.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.89 -29.73 70.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.54 116.34 32.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -81.33 122.88 28.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.756 HG11 ' CE ' ' A' ' 66' ' ' MET . 21.9 t -76.38 132.8 32.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.609 ' HB2' ' CD ' ' A' ' 90' ' ' ARG . . . -115.67 -43.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 13.7 ttm -141.84 147.47 37.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.765 ' O ' HG12 ' A' ' 64' ' ' VAL . 12.3 p -141.95 132.45 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.181 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.11 31.81 1.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.553 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.02 -23.53 30.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 113.093 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 61' ' ' VAL . 14.4 p -90.68 140.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.984 0.421 . . . . 0.0 111.303 -179.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.6 t -71.24 136.62 48.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.756 ' CE ' HG11 ' A' ' 58' ' ' VAL . 7.1 mmm -101.87 23.68 11.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.062 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.27 22.38 10.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.912 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -177.3 36.65 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.714 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.18 157.74 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -79.76 153.54 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.597 ' O ' HG12 ' A' ' 75' ' ' VAL . 9.3 p80 -56.89 -41.57 78.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.48 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -71.01 -36.62 72.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -72.03 -38.86 69.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.74 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.391 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 71' ' ' HIS . 14.9 p -72.0 -46.7 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.587 -179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.502 ' N ' HG13 ' A' ' 75' ' ' VAL . 1.6 pp0? -58.31 -30.22 66.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.311 . . . . 0.0 111.035 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -50.11 30.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.653 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.4 pp -71.2 -31.82 68.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.264 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.653 ' N ' HD12 ' A' ' 78' ' ' LEU . 3.1 tmm_? -66.98 -26.47 66.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.81 -17.29 62.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.2 m -51.22 -74.28 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.795 0.331 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.71 -30.43 9.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.631 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.46 33.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.734 0.302 . . . . 0.0 110.972 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -176.53 67.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.79 102.15 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.629 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.93 139.42 30.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.932 0.396 . . . . 0.0 111.34 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.663 HG12 HG23 ' A' ' 61' ' ' VAL . 22.1 mt -130.81 130.47 64.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.86 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.569 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.53 132.02 44.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.674 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.0 pp -136.96 167.9 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.899 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.609 ' CD ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -136.41 143.15 43.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 0.0 111.345 -179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.404 ' N ' ' CD ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -148.14 136.84 21.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.46 -41.5 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.139 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.893 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.99 118.89 5.95 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.572 2.181 . . . . 0.0 112.301 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 11.4 mt -94.07 -56.84 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -73.86 106.2 1.97 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.472 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 96.2 p -157.45 82.03 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 0.0 110.967 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 60.85 156.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -142.5 30.09 1.55 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.2 mp -104.81 134.59 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 92' ' ' LYS . 0.1 OUTLIER -92.81 149.15 21.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.031 0.444 . . . . 0.0 111.117 -179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -113.05 149.45 33.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.84 179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.673 ' HG2' HG22 ' A' ' 88' ' ' THR . 5.9 tt0 -107.6 127.3 53.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.018 0.437 . . . . 0.0 111.4 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -129.15 138.61 51.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.625 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.2 t -104.22 122.36 45.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.8 148.8 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.037 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 86' ' ' LYS . 47.2 p -113.6 112.55 23.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.987 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.794 HD22 ' HB2' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -106.3 116.51 32.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -80.48 126.34 31.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.91 138.31 57.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.944 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.84 148.94 70.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.019 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_exo -51.75 143.63 37.4 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.678 2.252 . . . . 0.0 112.318 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.42 -49.39 0.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.436 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.615 ' CD2' HD22 ' A' ' 43' ' ' LEU . 81.4 m-85 -134.52 -70.51 0.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.758 0.313 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.84 -84.31 0.37 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.721 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE1' HD12 ' A' ' 78' ' ' LEU . 1.7 m-85 -69.24 -34.9 75.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.787 0.327 . . . . 0.0 110.953 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.855 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 80.66 0.7 88.18 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.614 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.88 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -140.31 172.58 11.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.817 0.341 . . . . 0.0 110.979 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.35 118.21 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.03 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.419 HD11 ' HB ' ' A' ' 75' ' ' VAL . 2.4 pt -80.83 155.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.34 133.8 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.03 -134.16 5.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.645 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.405 ' O ' ' CE2' ' A' ' 30' ' ' PHE . . . 117.68 99.26 2.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.249 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.6 -26.57 62.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.706 0.289 . . . . 0.0 111.138 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.29 37.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.977 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -95.41 167.43 12.78 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.12 -60.03 0.9 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.557 2.171 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -124.59 129.79 51.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CE2' ' O ' ' A' ' 24' ' ' GLY . 0.8 OUTLIER -146.55 161.59 40.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -123.16 146.13 48.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.816 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.22 165.39 24.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.39 12.45 67.35 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.825 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -179.5 38.49 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.906 0.384 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.47 -24.51 62.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -58.56 138.59 56.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.924 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.78 HG22 ' HB3' ' A' ' 66' ' ' MET . 0.8 OUTLIER -74.69 142.29 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 39' ' ' ILE . 16.9 t -129.54 160.43 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.561 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.6 mp -76.78 119.54 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.171 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -55.28 6.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.853 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -158.0 154.98 28.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.88 HG12 HG22 ' A' ' 19' ' ' ILE . 32.6 m -126.47 138.46 54.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.855 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -60.62 -24.73 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.987 -179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.74 31.46 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.726 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.447 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.81 14.61 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.725 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.48 -164.62 11.48 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.621 -0.8 . . . . 0.0 112.392 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.32 -24.65 57.52 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.571 2.181 . . . . 0.0 112.298 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.794 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -109.86 28.0 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.189 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -135.17 27.4 3.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.64 -41.57 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.772 0.32 . . . . 0.0 110.865 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.631 ' HB2' HG21 ' A' ' 19' ' ' ILE . 55.3 mt -120.95 102.12 8.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.01 173.62 11.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.84 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -49.23 -29.16 5.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.147 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -62.71 -29.7 70.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.804 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -118.26 127.98 54.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.646 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.34 133.45 39.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.692 ' CG2' HG23 ' A' ' 37' ' ' ILE . 10.9 m -86.63 126.91 40.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.859 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -111.86 -30.19 7.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.393 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.9 ttp -140.58 144.74 36.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.076 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.503 HG13 ' O ' ' A' ' 61' ' ' VAL . 10.0 p -137.57 119.25 18.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.87 32.24 14.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.963 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.6 4.5 79.78 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.844 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.517 HG21 ' CD ' ' A' ' 77' ' ' GLN . 25.5 t -107.59 137.63 37.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 111.229 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -66.34 143.11 57.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.78 ' HB3' HG22 ' A' ' 37' ' ' ILE . 6.3 mtp -118.34 26.66 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -120.36 24.22 10.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 179.46 43.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.719 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.56 147.14 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.326 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -72.49 153.82 41.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.899 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.459 ' O ' HG12 ' A' ' 75' ' ' VAL . 6.2 t60 -49.6 -38.45 31.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -69.63 -37.99 77.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -38.34 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.966 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.32 -44.85 58.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.363 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 72' ' ' ALA . 12.8 p -65.84 -41.07 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.45 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' HG13 ' A' ' 75' ' ' VAL . 6.6 pt20 -61.26 -27.63 68.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 111.112 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.517 ' CD ' HG21 ' A' ' 64' ' ' VAL . 41.1 mm-40 -72.02 -50.13 31.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.218 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' A' ' 17' ' ' PHE . 3.7 pp -72.72 -30.57 64.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -25.99 63.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.084 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -63.86 -25.82 68.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.096 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.8 m -56.0 -76.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.054 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.44 -29.21 11.29 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -166.73 30.22 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.801 0.334 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.8 p30 176.65 77.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.717 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.06 110.26 21.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.461 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -97.95 136.01 38.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.985 0.421 . . . . 0.0 111.117 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.723 HD12 ' CD1' ' A' ' 9' ' ' LEU . 3.7 mt -130.84 138.11 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.85 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.673 HG22 ' HG2' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -97.98 123.24 41.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.779 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.577 ' O ' HD12 ' A' ' 89' ' ' ILE . 1.8 pp -122.83 165.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.1 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.03 145.13 43.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.403 . . . . 0.0 111.296 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -148.26 158.72 44.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.252 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 2' ' ' TRP . 0.1 OUTLIER -156.24 -43.55 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 179.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.37 133.28 47.82 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.575 2.184 . . . . 0.0 112.246 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.48 106.57 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 88.39 -110.21 3.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.3 t -176.1 -57.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -171.11 -172.76 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 61.21 19.4 10.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.535 ' C ' HD13 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -70.55 119.91 17.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.508 ' N ' HD13 ' A' ' 1' ' ' ILE . 48.6 p90 -97.69 127.92 43.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 63.3 tt0 -114.9 141.99 47.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.348 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.483 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 5.0 tt0 -106.88 130.75 54.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.049 0.452 . . . . 0.0 111.686 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -118.86 138.07 52.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.306 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.529 HG22 ' CG2' ' A' ' 88' ' ' THR . 18.1 p -108.62 118.03 35.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.061 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.2 p -119.67 147.49 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.038 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 m -107.92 113.98 27.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.998 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.1 mt -106.25 115.4 30.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -76.85 128.56 34.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.741 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 -59.58 128.93 39.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.961 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -113.92 151.53 44.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.55 148.58 72.95 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.557 2.171 . . . . 0.0 112.245 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.62 -42.85 1.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.929 ' CD1' HD22 ' A' ' 43' ' ' LEU . 35.8 m-85 -117.25 -76.68 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.686 0.279 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.48 -88.84 0.2 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.713 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -98.08 -32.65 11.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.733 0.302 . . . . 0.0 111.179 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.864 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 101.2 -23.71 34.44 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.69 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.742 HG22 HG12 ' A' ' 42' ' ' VAL . 2.6 pp -131.2 152.93 38.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 111.226 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 122.53 47.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' HB ' HD11 ' A' ' 37' ' ' ILE . 2.5 pp -73.29 155.91 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.83 148.3 26.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.54 -104.42 0.66 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.49 119.1 2.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -63.98 -28.22 69.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.718 0.294 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -116.38 30.48 7.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -94.22 166.25 15.89 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.03 -16.01 51.6 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.559 2.173 . . . . 0.0 112.44 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -104.38 138.32 40.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.0 p90 -129.09 150.85 50.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.0 143.33 30.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.96 127.08 55.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.98 -7.01 12.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.842 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -148.94 -52.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.775 0.321 . . . . 0.0 111.037 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.4 p 49.54 28.38 2.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.7 p -120.13 170.71 9.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.676 HG22 ' HB3' ' A' ' 66' ' ' MET . 3.4 tp -75.99 143.84 12.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.19 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.6 p -136.1 153.35 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.96 121.99 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.13 -55.18 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.74 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -148.87 150.55 33.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.742 HG12 HG22 ' A' ' 19' ' ' ILE . 28.1 m -131.72 147.93 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.298 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.929 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -74.43 -28.39 61.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.002 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt 65.13 30.18 11.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.632 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.62 16.41 2.02 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.675 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -168.24 11.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.518 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.74 -30.62 47.27 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.653 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -106.83 29.19 7.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -41.7 80.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.046 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.19 43.96 0.87 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.59 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.85 -40.0 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 HD13 ' A' ' 87' ' ' ILE . 3.9 mt -120.92 106.71 11.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.94 171.84 12.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.77 -30.78 6.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.75 -32.04 73.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.612 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.583 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -97.75 105.45 17.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.671 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.52 122.04 24.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.757 ' HA ' HG22 ' A' ' 89' ' ' ILE . 33.5 t -75.98 127.1 37.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.562 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . . . -117.14 -25.34 7.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.546 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.406 ' HB3' ' OG1' ' A' ' 88' ' ' THR . 8.6 ttm -150.3 149.01 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 110.942 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.509 HG22 HG23 ' A' ' 87' ' ' ILE . 21.9 t -141.97 120.28 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.5 t30 54.64 32.29 16.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.18 -26.17 18.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.763 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.454 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.4 t -83.75 128.62 38.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.73 0.3 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.29 143.02 58.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.841 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.676 ' HB3' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -121.14 27.95 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.032 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -96.09 12.89 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 177.66 55.32 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.68 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -131.54 153.43 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -77.05 153.64 34.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.89 ' O ' HG23 ' A' ' 75' ' ' VAL . 42.2 p-80 -51.19 -46.8 62.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.73 -40.5 92.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -63.75 -36.18 83.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.436 ' HA ' ' HE3' ' A' ' 66' ' ' MET . . . -73.2 -45.41 56.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.171 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 71' ' ' HIS . 28.9 t -60.29 -50.69 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -58.93 -26.94 64.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.096 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.454 ' CG ' HG21 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -72.03 -50.25 30.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.031 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.62 -30.6 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.747 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -67.39 -24.9 65.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.67 -22.18 66.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.155 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.3 m -56.62 -73.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.15 -34.52 5.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.598 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.57 31.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.934 0.397 . . . . 0.0 110.916 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.2 p30 179.69 74.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.797 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.22 107.17 18.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -92.75 138.69 31.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.125 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.509 HG23 HG22 ' A' ' 61' ' ' VAL . 4.0 mp -130.61 126.24 60.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.529 ' CG2' HG22 ' A' ' 6' ' ' THR . 4.8 p -98.46 126.82 44.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -135.24 167.48 25.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.277 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.562 ' NH1' ' HB2' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -133.2 145.9 51.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.301 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.16 134.25 21.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.605 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.43 -49.66 1.08 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.003 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.8 tttt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.857 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.78 81.81 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.613 2.209 . . . . 0.0 112.307 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.96 -50.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 135.99 51.07 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.52 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.89 -176.04 5.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.54 -170.82 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.842 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 12.1 m80 -117.17 -22.11 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.401 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.499 HG23 ' O ' ' A' ' 1' ' ' ILE . 15.8 tt -111.93 119.94 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.75 0.31 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 57.2 p-90 -109.57 151.65 26.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.257 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 16.3 pt-20 -115.43 154.24 29.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.406 179.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.584 ' HG2' HG22 ' A' ' 88' ' ' THR . 8.0 tt0 -107.4 127.16 53.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 111.135 -179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.404 ' CE1' ' HG3' ' A' ' 3' ' ' GLU . 24.6 m80 -130.78 138.59 49.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.897 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 6' ' ' THR . 8.5 t -115.66 116.97 29.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.3 t -118.29 150.01 20.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.193 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 4.5 m -102.53 119.06 38.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.863 HD13 ' HB2' ' A' ' 48' ' ' ALA . 35.0 mt -106.09 114.89 29.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.414 ' CE1' ' O ' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -65.41 119.22 10.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.79 120.3 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.86 155.54 42.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.59 157.73 4.88 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.606 2.204 . . . . 0.0 112.287 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 94.19 -42.57 2.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -150.38 -64.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.726 0.298 . . . . 0.0 110.824 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.18 -77.82 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.683 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.761 ' CD1' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -60.04 -37.02 78.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.736 -179.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.762 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.96 -17.28 56.0 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.852 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.896 HG22 ' CG1' ' A' ' 42' ' ' VAL . 2.1 pp -138.03 171.28 15.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB3' ' H ' ' A' ' 41' ' ' ASP . . . -119.91 148.0 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.711 HD11 HG22 ' A' ' 75' ' ' VAL . 0.0 OUTLIER -103.61 149.99 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.32 133.97 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.14 -125.07 3.26 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 112.56 111.81 3.13 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.636 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -71.54 -31.12 66.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.58 39.05 1.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.61 171.04 9.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_exo -51.63 -27.12 24.76 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.569 2.179 . . . . 0.0 112.279 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -119.54 159.48 24.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.25 150.17 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -152.73 141.33 20.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.5 m -106.16 137.22 44.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.23 13.08 37.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.652 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -177.37 45.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.946 0.403 . . . . 0.0 110.751 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -92.6 43.76 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.167 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.407 ' HA ' ' HA ' ' A' ' 67' ' ' ASP . 59.7 p -117.8 138.19 52.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.667 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.802 HG22 ' HB3' ' A' ' 66' ' ' MET . 0.7 OUTLIER -74.57 141.87 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 111.224 -179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.511 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.9 p -123.69 161.69 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.715 HD12 HD13 ' A' ' 19' ' ' ILE . 27.1 mm -73.77 119.16 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.854 0.359 . . . . 0.0 111.074 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.92 -66.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.995 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.497 ' H ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -142.66 154.99 44.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.896 ' CG1' HG22 ' A' ' 19' ' ' ILE . 26.7 m -132.79 150.2 32.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.281 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.762 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.4 OUTLIER -75.69 -30.05 59.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 tttt 63.61 32.06 14.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.771 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.59 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -145.7 17.18 1.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.666 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.51 -153.57 7.34 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.71 -30.54 22.34 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.617 2.211 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.863 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -104.81 28.99 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.229 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -58.56 -44.72 89.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.019 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.78 40.01 1.5 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.577 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -111.17 -39.88 4.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.663 HD12 HG12 ' A' ' 19' ' ' ILE . 11.2 mt -120.66 106.39 11.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 173.64 10.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -30.57 47.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -32.04 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -104.67 118.83 37.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.2 mtm105 -84.46 126.78 33.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.66 HG13 HG23 ' A' ' 37' ' ' ILE . 9.3 p -91.85 133.54 33.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -131.01 5.17 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.885 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -160.13 141.49 12.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 111.205 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.493 HG13 ' O ' ' A' ' 61' ' ' VAL . 9.5 p -142.0 119.32 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.3 32.32 18.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.025 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.36 -25.94 22.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.688 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.521 HG21 ' HG2' ' A' ' 77' ' ' GLN . 21.8 t -78.4 145.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.224 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 64.2 m -77.03 143.07 39.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.802 ' HB3' HG22 ' A' ' 37' ' ' ILE . 5.4 mtt -116.8 27.98 8.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.407 ' HA ' ' HA ' ' A' ' 36' ' ' SER . 20.2 t70 -119.09 23.21 11.49 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -180.0 38.76 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 m -139.45 146.66 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.69 153.7 42.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.903 ' O ' HG23 ' A' ' 75' ' ' VAL . 55.3 p-80 -54.32 -46.35 72.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.67 90.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.068 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -66.4 -36.83 83.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.3 -35.02 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.903 HG23 ' O ' ' A' ' 71' ' ' HIS . 30.6 t -72.03 -53.08 21.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -53.96 -29.68 43.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 64' ' ' VAL . 1.5 mt-30 -72.03 -50.16 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.842 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.87 HD12 ' N ' ' A' ' 79' ' ' ARG . 3.9 pp -72.75 -30.99 64.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.87 ' N ' HD12 ' A' ' 78' ' ' LEU . 24.6 ttt-85 -66.87 -25.04 66.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -25.95 68.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.3 m -54.3 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.051 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.71 -18.76 51.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.835 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.414 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -168.68 31.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.726 0.298 . . . . 0.0 110.875 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 174.65 73.75 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.86 105.65 15.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 5.9 pttt -95.67 139.6 31.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.647 HD13 HD12 ' A' ' 9' ' ' LEU . 3.8 mp -130.83 132.83 63.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.037 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.584 HG22 ' HG2' ' A' ' 4' ' ' GLN . 6.0 m -98.46 118.63 35.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.578 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.6 pp -126.15 163.55 27.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.3 138.68 45.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.109 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.09 152.46 37.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.638 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.1 pttp -127.93 -51.02 1.34 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.9 tttt . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.929 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.52 -28.13 26.77 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.544 2.163 . . . . 0.0 112.3 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 1.5 tp -135.54 -52.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -90.27 -147.1 17.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.46 118.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.953 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 61.28 -176.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 3.3 m170 62.55 34.3 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.0 mt -114.24 119.62 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -110.83 132.53 54.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.04 0.448 . . . . 0.0 111.483 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.5 OUTLIER -120.59 145.21 47.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.143 179.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -107.54 127.3 53.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.898 0.38 . . . . 0.0 111.325 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -133.02 138.58 46.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.845 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.5 t -116.5 121.88 43.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.832 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.17 147.51 26.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.0 m -102.69 113.72 27.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.709 HD12 ' CD1' ' A' ' 87' ' ' ILE . 2.6 mt -106.12 115.88 30.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -78.9 117.25 19.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.788 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.2 mtp-105 -58.89 134.12 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.033 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.523 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -119.5 159.36 46.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.01 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 29.8 Cg_endo -63.04 142.13 86.39 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.644 2.229 . . . . 0.0 112.248 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.07 -39.28 2.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -138.45 -71.26 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.54 -106.91 1.74 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.579 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.7 OUTLIER -60.05 -37.19 79.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.633 0.254 . . . . 0.0 111.09 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.6 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.62 -22.19 28.98 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.665 -0.779 . . . . 0.0 113.062 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.75 HG21 ' HB2' ' A' ' 52' ' ' LEU . 1.0 OUTLIER -121.14 164.01 18.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.768 0.318 . . . . 0.0 111.328 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.38 118.03 33.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.603 HD11 HG21 ' A' ' 37' ' ' ILE . 2.4 tt -80.23 131.47 34.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -135.81 133.98 38.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.58 24.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.661 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 138.4 98.42 0.45 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.381 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -71.9 -27.13 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 111.521 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.419 ' CB ' ' HB3' ' A' ' 70' ' ' GLU . 47.8 t0 -58.12 -30.76 66.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.595 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 0.5 OUTLIER 166.66 -49.78 0.0 OUTLIER Pre-proline 0 N--CA 1.465 0.299 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 27' ' ' ASN . 40.6 Cg_exo -36.85 -31.5 0.11 Allowed 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.044 2.496 . . . . 0.0 113.695 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 140.08 31.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.915 0.388 . . . . 0.0 111.252 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -146.53 134.97 21.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.797 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -151.06 140.31 21.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.9 t -89.74 117.65 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.04 -7.04 11.94 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.81 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -58.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.732 0.301 . . . . 0.0 110.81 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.19 30.05 15.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.031 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 m -104.94 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' SD ' ' A' ' 66' ' ' MET . 40.2 mt -83.97 148.74 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.02 164.16 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.5 HD13 ' C ' ' A' ' 52' ' ' LEU . 4.4 mt -90.44 118.51 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.988 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.9 t -65.49 -66.83 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -151.95 154.28 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.707 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.726 HG12 HG22 ' A' ' 19' ' ' ILE . 27.8 m -120.7 134.78 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.363 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -59.89 -28.32 67.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.889 179.821 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt 68.21 30.2 5.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.788 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.643 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -147.62 17.58 1.45 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.721 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.37 -171.76 13.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.427 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.21 -27.06 45.34 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.599 2.199 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.668 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -114.72 33.97 5.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.313 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.71 -47.24 80.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.04 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -133.67 32.82 2.64 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -105.11 -44.92 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.327 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.75 ' HB2' HG21 ' A' ' 19' ' ' ILE . 4.2 mt -117.28 107.13 14.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -129.67 173.72 10.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -49.62 -31.85 11.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.45 -30.17 70.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.693 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.24 106.34 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.748 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -78.06 123.78 27.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.729 ' HA ' HG22 ' A' ' 89' ' ' ILE . 12.5 m -75.99 130.84 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -113.79 -35.56 5.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.42 150.95 38.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.509 HG13 ' O ' ' A' ' 61' ' ' VAL . 11.6 p -141.97 119.28 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.01 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 54.43 32.34 16.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.4 4.51 80.49 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.919 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.485 HG11 ' NE2' ' A' ' 77' ' ' GLN . 21.2 t -112.82 127.12 70.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.301 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -57.11 142.44 42.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.611 ' SD ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -117.87 36.9 4.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.951 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.12 27.81 5.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -179.93 41.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.611 HG23 HD11 ' A' ' 37' ' ' ILE . 31.0 m -142.91 149.23 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.338 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.773 ' OE1' ' HB3' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -73.77 153.72 39.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.789 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.92 ' O ' HG23 ' A' ' 75' ' ' VAL . 34.9 p80 -49.71 -44.45 48.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.773 ' HB3' ' OE1' ' A' ' 70' ' ' GLU . . . -56.41 -50.56 71.28 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.216 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.471 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 8.1 t80 -61.57 -34.88 76.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.781 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.27 -42.6 62.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.4 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.92 HG23 ' O ' ' A' ' 71' ' ' HIS . 34.6 t -63.77 -47.31 91.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.391 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.414 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -59.87 -24.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.061 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.485 ' NE2' HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -71.97 -50.35 29.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.158 -179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.7 -30.74 64.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -72.82 -26.16 61.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.06 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -63.74 -27.2 69.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.101 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.0 m -58.35 -76.33 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.824 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.1 -29.5 9.96 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -168.81 31.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.839 0.352 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 178.15 72.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.615 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.24 113.3 25.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 139.52 32.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.05 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.709 ' CD1' HD12 ' A' ' 9' ' ' LEU . 3.1 mp -130.93 130.18 63.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.173 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -98.53 118.89 36.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.599 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.729 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.6 pp -129.44 165.05 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.295 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -137.0 146.82 45.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.3 137.85 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -130.48 -39.85 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.068 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.914 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.15 -30.42 16.13 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.307 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.89 -46.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -127.6 153.33 19.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.98 23.62 9.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.32 . . . . 0.0 111.075 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 53.55 26.16 5.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.189 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -149.79 21.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.189 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 28.3 mm -114.19 119.64 61.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.303 . . . . 0.0 110.842 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.417 ' HB3' ' HB3' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -123.65 152.53 41.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.256 0.55 . . . . 0.0 111.652 -179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.8 mm-40 -112.61 154.22 26.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.973 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.48 HE21 ' HB3' ' A' ' 59' ' ' ALA . 29.7 tt0 -107.21 127.26 53.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.908 0.385 . . . . 0.0 111.495 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -122.18 138.53 54.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.776 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.468 HG22 HG23 ' A' ' 88' ' ' THR . 21.6 p -114.11 115.58 27.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.7 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.1 t -122.52 150.14 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.454 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.5 ' O ' HG23 ' A' ' 8' ' ' THR . 9.9 t -107.96 114.28 28.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.34 113.1 26.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -76.04 124.56 27.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -58.19 140.98 51.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.31 147.94 46.23 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.62 146.14 45.07 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.533 2.155 . . . . 0.0 112.268 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.61 -60.31 4.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.597 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.94 ' CD1' HD13 ' A' ' 43' ' ' LEU . 35.7 m-85 -82.26 -69.6 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.932 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.43 -81.89 0.3 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.681 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 3.4 t80 -93.85 -37.17 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.21 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.709 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 93.82 -26.29 17.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.649 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.018 HG22 HG12 ' A' ' 42' ' ' VAL . 1.1 pt -133.42 172.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.22 118.02 25.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.015 179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.821 HD11 HG22 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -79.09 145.53 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.35 141.91 41.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 138.32 -157.59 24.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.484 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.43 98.62 0.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -40.09 70.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.88 34.0 3.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -98.58 166.27 13.54 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.22 -23.3 22.59 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.604 2.203 . . . . 0.0 112.384 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -104.42 151.2 23.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -126.52 146.99 49.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -144.95 117.49 8.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.803 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.2 m -92.09 116.82 29.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.974 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.99 12.53 6.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -145.12 -73.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.976 0.417 . . . . 0.0 110.571 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 44.0 p 49.4 30.38 3.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.227 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.5 p -139.59 153.14 47.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.05 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 31.1 mm -82.89 137.41 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.175 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG22 ' N ' ' A' ' 39' ' ' ILE . 10.0 p -133.93 158.26 42.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.093 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' N ' HG22 ' A' ' 38' ' ' VAL . 23.4 mm -75.8 118.7 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.39 -66.71 0.86 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -134.81 154.96 51.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.795 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.018 HG12 HG22 ' A' ' 19' ' ' ILE . 35.8 m -136.03 144.37 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.958 0.409 . . . . 0.0 111.349 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.94 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.39 -27.24 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.959 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.608 ' HG3' HG23 ' A' ' 42' ' ' VAL . 1.0 OUTLIER 63.05 32.69 15.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.898 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.441 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -144.04 14.8 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.726 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -133.05 -166.72 11.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.353 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -55.76 -32.39 84.13 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.5 2.133 . . . . 0.0 112.304 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.456 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -101.96 26.85 7.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.366 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -42.7 84.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.22 33.11 1.93 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -105.92 -35.19 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.601 ' HB2' HG21 ' A' ' 19' ' ' ILE . 5.1 mp -120.06 117.05 26.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.36 173.76 11.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.967 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -50.91 -31.93 19.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -65.25 -30.88 71.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.692 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.439 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 2.3 m-20 -97.9 103.33 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.735 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.49 121.24 22.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG22 HG22 ' A' ' 89' ' ' ILE . 29.1 t -77.47 126.79 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.54 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -112.87 -26.78 8.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.409 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 10.8 ttm -147.9 153.71 39.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.9 0.381 . . . . 0.0 111.254 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.853 HG23 ' CD1' ' A' ' 87' ' ' ILE . 11.6 p -142.0 119.37 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.04 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.34 32.27 16.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.05 -26.18 20.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.642 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 t -85.7 127.39 40.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.061 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.99 139.52 54.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.989 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.708 ' CE ' ' HB1' ' A' ' 74' ' ' ALA . 1.1 mtt -110.84 29.7 7.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p30 -120.79 26.39 9.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -179.42 38.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.839 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.0 m -133.39 144.01 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.272 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.608 ' OE2' ' HB3' ' A' ' 72' ' ' ALA . 2.8 pt-20 -70.84 153.84 42.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.8 ' O ' HG23 ' A' ' 75' ' ' VAL . 0.8 OUTLIER -45.62 -51.49 12.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.672 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.608 ' HB3' ' OE2' ' A' ' 70' ' ' GLU . . . -55.09 -50.65 68.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.493 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.429 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 20.9 t80 -60.23 -33.7 72.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB1' ' CE ' ' A' ' 66' ' ' MET . . . -73.24 -38.22 66.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.438 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.821 HG22 HD11 ' A' ' 21' ' ' ILE . 18.1 t -71.95 -44.5 66.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.513 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.424 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -65.49 -25.24 67.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.085 -179.804 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -71.96 -50.27 30.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.977 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.427 ' HB2' ' CE1' ' A' ' 17' ' ' PHE . 3.6 pp -72.67 -31.62 65.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -24.82 65.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.25 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . 37.0 m -56.72 -81.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.52 -28.92 9.02 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.779 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.95 29.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 111.024 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.21 80.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.363 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 81' ' ' SER . . . -113.79 111.14 21.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.159 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.546 ' O ' HD13 ' A' ' 87' ' ' ILE . 2.1 pttp -94.76 139.52 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.672 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.853 ' CD1' HG23 ' A' ' 61' ' ' VAL . 23.6 mm -128.46 134.87 63.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.468 HG23 HG22 ' A' ' 6' ' ' THR . 31.5 m -98.31 114.86 27.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.357 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.811 HD13 ' HD2' ' A' ' 91' ' ' ARG . 2.7 pp -124.48 164.14 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.246 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.54 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.06 148.76 46.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.254 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.811 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -138.09 160.19 40.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.817 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 2' ' ' TRP . 12.0 pttt -148.67 -47.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 tttm . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.924 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.98 -37.86 68.32 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.536 2.157 . . . . 0.0 112.258 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 5.8 mt -162.02 143.25 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -114.63 -179.89 18.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.444 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.93 177.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.846 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -168.82 126.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -143.27 25.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 25.1 mm -89.29 119.87 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.898 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.423 ' HA ' ' HB3' ' A' ' 92' ' ' LYS . 21.5 p-90 -99.77 141.86 32.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 17.1 mt-10 -117.67 153.94 32.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.575 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -107.74 133.1 52.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.883 0.373 . . . . 0.0 111.198 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -133.05 138.19 46.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.002 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.461 HG22 ' OG1' ' A' ' 88' ' ' THR . 58.0 p -112.22 125.79 54.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.765 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.25 150.9 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.247 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 86' ' ' LYS . 0.7 OUTLIER -105.77 115.19 29.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.819 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.716 HD11 HD11 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -106.06 114.07 27.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.95 129.87 36.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -59.91 124.05 18.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.999 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.86 159.15 33.53 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.046 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 30.8 Cg_endo -63.91 151.08 86.82 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.542 2.161 . . . . 0.0 112.156 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.54 -45.87 2.0 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.376 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.723 ' CD2' HD22 ' A' ' 43' ' ' LEU . 34.4 m-85 -133.76 -69.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.671 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 118.51 -87.76 0.43 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.907 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.625 ' CD2' HD12 ' A' ' 78' ' ' LEU . 5.2 m-85 -61.79 -37.08 83.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 111.2 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.701 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 92.03 -23.7 25.24 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.694 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.011 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -133.08 172.68 16.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.05 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.91 124.05 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.45 HD13 ' HB3' ' A' ' 74' ' ' ALA . 1.9 pp -77.86 156.81 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.142 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.581 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -140.37 141.92 35.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.64 -156.19 20.91 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.386 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 144.36 109.75 0.67 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -71.54 -27.87 63.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.247 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 3.5 t0 -100.74 31.4 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.081 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -80.01 163.16 59.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.738 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.45 -26.05 11.48 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.465 2.11 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -117.6 159.62 22.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.776 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -126.55 135.19 50.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -140.75 129.76 23.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.4 t -99.42 130.15 45.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.17 -7.09 32.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.858 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -153.12 38.56 0.5 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.781 0.324 . . . . 0.0 110.84 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 67' ' ' ASP . 3.1 t -84.24 2.4 40.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.456 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 27.2 t -78.4 139.6 38.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.797 0.332 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.581 HG23 ' O ' ' A' ' 22' ' ' SER . 31.1 mm -71.79 140.18 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.3 m -127.05 163.06 30.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.167 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.5 mm -78.36 110.1 13.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.9 t -67.41 -69.72 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -148.49 154.93 40.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.011 HG12 HG22 ' A' ' 19' ' ' ILE . 26.9 m -128.14 145.08 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.253 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.723 HD22 ' CD2' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -70.18 -29.77 66.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.874 179.867 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttp 65.39 31.87 10.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.771 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.582 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -149.19 19.39 1.2 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.598 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.63 -151.84 7.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -71.02 -26.18 21.96 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.576 2.184 . . . . 0.0 112.439 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.546 ' HB2' HD22 ' A' ' 9' ' ' LEU . . . -114.3 34.44 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.22 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -60.22 -34.58 73.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.065 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.25 28.08 2.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -105.58 -39.6 6.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.814 ' HB2' HG21 ' A' ' 19' ' ' ILE . 33.9 mt -120.97 122.67 40.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.22 173.75 12.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.04 -33.3 17.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -65.92 -30.92 71.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.6 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -95.09 105.94 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -78.7 123.11 26.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 37' ' ' ILE . 7.9 p -82.74 131.57 33.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.42 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -114.12 -26.19 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.35 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 22.5 ttm -151.07 146.46 26.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.831 0.348 . . . . 0.0 111.109 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.873 HG13 ' CD1' ' A' ' 87' ' ' ILE . 69.5 t -134.49 119.57 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.722 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.5 t30 55.51 32.22 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.901 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.84 4.49 78.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 113.027 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.583 HG21 ' NE2' ' A' ' 77' ' ' GLN . 21.2 t -107.68 126.84 64.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.16 142.95 45.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.849 ' HG3' HG23 ' A' ' 61' ' ' VAL . 14.8 mmt -120.77 26.64 8.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' THR . 4.1 t0 -94.48 -13.72 25.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -162.73 64.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.78 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 m -135.17 148.38 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.029 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 6.0 pt-20 -77.4 146.67 36.47 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.933 0.397 . . . . 0.0 111.027 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.728 ' O ' HG23 ' A' ' 75' ' ' VAL . 4.4 p80 -46.08 -48.29 17.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.403 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.48 -45.25 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.434 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -63.89 -40.32 96.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.686 179.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.45 ' HB3' HD13 ' A' ' 21' ' ' ILE . . . -65.15 -52.14 56.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.176 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 71' ' ' HIS . 12.7 t -57.8 -48.1 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.338 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 8.7 pt20 -59.83 -24.85 64.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.583 ' NE2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -66.96 -50.47 62.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.912 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -72.79 -30.67 64.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.654 179.638 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.25 -31.66 72.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -66.4 -27.17 67.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.071 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.1 m -54.27 -75.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.117 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.82 -38.64 3.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.682 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.69 32.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.975 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -179.17 71.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.47 109.97 21.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -90.71 138.7 31.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.897 -179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.873 ' CD1' HG13 ' A' ' 61' ' ' VAL . 20.2 mm -128.12 132.34 68.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.144 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 6' ' ' THR . 55.4 m -98.41 114.68 27.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.704 HG21 HD22 ' A' ' 52' ' ' LEU . 2.8 pp -126.04 159.47 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.383 -179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -134.78 137.91 43.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.726 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 160.25 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -140.99 -45.64 0.39 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.053 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.166 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.11 -19.56 39.06 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.604 2.203 . . . . 0.0 112.45 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 9.8 mt 63.3 124.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -149.88 36.53 0.97 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 21.4 p -67.44 110.59 3.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.33 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -76.35 135.75 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 92' ' ' LYS . 1.3 t60 -137.07 43.71 2.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 21.8 pt -100.76 125.12 54.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.036 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 1.4 p90 -115.86 152.08 34.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.944 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.681 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.9 mm-40 -126.62 150.84 48.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.525 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.664 ' HG2' HG22 ' A' ' 88' ' ' THR . 50.2 tt0 -106.6 126.87 52.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.479 . . . . 0.0 111.448 -179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -133.39 139.16 46.62 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.954 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.788 HG23 ' OG1' ' A' ' 88' ' ' THR . 0.3 OUTLIER -105.49 115.33 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.026 179.258 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -117.85 140.63 40.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.335 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 1.7 m -95.85 111.96 23.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.05 115.9 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -76.32 125.54 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 15.8 mtp-105 -54.93 130.46 41.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -117.65 159.1 43.54 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 38.9 Cg_endo -66.48 151.31 83.32 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.617 2.211 . . . . 0.0 112.241 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.72 -28.63 12.72 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.426 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.939 ' CD2' HD13 ' A' ' 43' ' ' LEU . 97.2 m-85 -152.48 -60.96 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.57 -98.17 0.99 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.708 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.695 ' CE1' HD12 ' A' ' 78' ' ' LEU . 34.3 m-85 -59.56 -36.92 77.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.048 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 96.9 -14.74 63.63 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.825 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.144 HG22 HG12 ' A' ' 42' ' ' VAL . 1.8 pp -140.56 168.7 16.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 111.299 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.21 128.32 56.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.4 mp -78.04 145.43 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.235 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.79 135.17 25.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.37 -151.99 19.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.561 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 135.76 123.19 2.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -36.55 70.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -75.54 -20.65 58.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.199 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -54.9 159.08 3.98 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.104 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -61.75 -14.7 37.74 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.742 2.295 . . . . 0.0 112.626 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.29 124.55 49.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.889 0.376 . . . . 0.0 110.989 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -146.61 149.59 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.783 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 mp0 -156.67 128.05 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.07 122.36 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.16 -7.05 40.32 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.807 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -156.22 43.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.39 35.24 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.65 150.12 21.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.0 mm -73.77 148.18 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.4 t -139.1 158.95 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.7 mp -83.22 120.0 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 t -68.98 -62.26 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.45 155.02 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.748 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.144 HG12 HG22 ' A' ' 19' ' ' ILE . 36.0 m -125.21 144.84 33.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.945 0.402 . . . . 0.0 111.404 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.939 HD13 ' CD2' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -70.41 -30.48 67.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.812 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.21 31.69 6.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.809 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -145.97 16.81 1.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.743 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.33 -170.93 12.4 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.445 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.63 -28.92 39.11 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.588 2.192 . . . . 0.0 112.357 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -104.91 26.83 8.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.299 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -42.1 88.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.6 39.99 1.47 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.598 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.0 -42.7 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.824 0.345 . . . . 0.0 110.835 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.778 HD12 HG12 ' A' ' 19' ' ' ILE . 11.3 mt -112.69 114.51 27.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.98 173.73 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.88 -29.07 4.26 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -32.06 69.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.703 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.518 ' HB3' HD13 ' A' ' 89' ' ' ILE . 1.4 m-20 -97.08 93.52 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.812 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -66.15 126.57 29.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.812 ' HA ' HG22 ' A' ' 89' ' ' ILE . 21.4 t -80.31 128.77 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.047 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' HB3' HE21 ' A' ' 4' ' ' GLN . . . -113.22 -33.58 5.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.286 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 16.4 ttp -152.88 155.75 37.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.042 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.877 HG12 HG23 ' A' ' 87' ' ' ILE . 5.1 m -141.45 119.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 51.48 32.4 8.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.43 -26.28 22.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.582 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.754 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.3 t -77.97 125.11 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 111.109 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -61.48 139.57 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.504 ' HE1' ' HB1' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -109.58 31.29 5.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -119.24 18.32 13.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.191 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -179.65 54.11 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.934 0.397 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -142.9 148.32 19.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.401 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 4.6 pt-20 -82.34 153.69 25.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.859 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -46.79 -38.41 10.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.564 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -50.85 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 2.0 m-85 -61.31 -33.82 74.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.508 ' O ' HD23 ' A' ' 78' ' ' LEU . . . -71.95 -52.98 14.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.462 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.65 -40.48 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.42 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 14.5 pt20 -66.94 -27.75 67.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.148 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.754 ' CG ' HG21 ' A' ' 64' ' ' VAL . 0.8 OUTLIER -70.52 -50.25 39.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.055 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD12 ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -72.83 -30.69 64.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.932 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -67.48 -27.24 66.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.01 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mmtm -63.88 -23.77 67.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.11 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -58.58 -66.13 0.54 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.0 -37.1 3.54 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.564 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -168.79 31.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.748 0.308 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -179.94 72.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.79 119.9 39.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 1.7 ptmt -96.15 135.5 37.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.983 0.421 . . . . 0.0 111.143 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG12 ' A' ' 61' ' ' VAL . 30.8 mt -130.71 132.86 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.2 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.788 ' OG1' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.54 118.55 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.203 179.482 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.812 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.7 pp -134.26 162.62 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.609 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.681 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -127.79 143.94 51.11 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.399 179.802 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.16 160.25 43.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.044 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.431 ' HD3' ' CD2' ' A' ' -1' ' ' HIS . 0.7 OUTLIER -123.84 -47.22 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.74 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.037 179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.23 -27.98 32.29 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.604 2.202 . . . . 0.0 112.353 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.61 153.57 20.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.959 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 151.34 -121.6 1.24 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.2 p -86.68 83.99 7.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.775 0.322 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.52 86.25 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.44 27.44 9.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 34.4 pt -91.53 131.48 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.982 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CG ' ' HG2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -92.96 140.81 29.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.548 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 3.9 tt0 -112.85 135.16 53.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.306 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.463 ' HB2' ' HG2' ' A' ' 90' ' ' ARG . 1.6 tt0 -106.55 132.39 52.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.159 0.504 . . . . 0.0 111.621 -179.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -132.99 138.55 46.88 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.48 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.37 122.76 48.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.11 142.34 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.58 116.42 31.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.694 HD11 HD11 ' A' ' 52' ' ' LEU . 1.0 OUTLIER -103.56 109.54 21.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.747 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -65.93 110.7 2.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.003 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -59.71 120.63 9.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.476 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.6 158.63 34.97 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 61.4 Cg_endo -73.09 147.12 42.39 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.598 2.198 . . . . 0.0 112.345 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.97 -28.25 13.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.555 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.49 ' CD1' HD13 ' A' ' 43' ' ' LEU . 74.1 m-85 -135.17 -61.46 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.847 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 105.07 -95.52 1.12 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.555 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.506 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -98.11 -36.69 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.933 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.605 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 85.9 -1.21 87.95 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.976 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 52' ' ' LEU . 2.3 pt -126.8 156.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 111.334 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 41' ' ' ASP . . . -122.45 118.14 27.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.017 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 pp -76.51 151.82 5.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.69 133.85 29.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.38 -145.25 15.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.418 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 129.15 112.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -71.64 -27.48 63.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.73 0.3 . . . . 0.0 111.21 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -98.97 40.89 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.047 -179.821 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -91.8 143.08 27.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.34 -26.75 28.59 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.415 2.077 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -110.61 159.53 17.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -126.49 145.48 50.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.78 146.05 40.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.971 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.0 t -99.29 128.08 45.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.66 13.0 55.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.656 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -163.72 46.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.022 0.439 . . . . 0.0 110.624 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 43.6 p -91.24 31.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.241 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.8 p -129.86 -172.04 2.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.579 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 66' ' ' MET . 4.7 mp -115.73 113.95 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.9 m -124.31 166.15 20.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.06 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 25.6 mm -75.72 119.42 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.9 -47.15 9.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.2 m-20 -152.27 154.86 36.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.632 HG12 HG22 ' A' ' 19' ' ' ILE . 36.0 m -132.41 134.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.251 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.605 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.1 OUTLIER -56.87 -26.38 58.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 179.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 tttt 68.52 30.25 5.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.92 14.3 2.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.673 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.4 -175.04 14.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.37 -25.87 25.89 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.629 2.22 . . . . 0.0 112.302 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.579 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -115.72 33.18 5.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.255 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -55.2 -41.25 71.73 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.14 28.36 2.24 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.536 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -98.93 -37.63 9.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.734 ' HB2' HG21 ' A' ' 19' ' ' ILE . 1.9 mt -118.62 127.91 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -146.0 173.68 11.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.9 -30.02 44.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -61.6 -31.56 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.41 113.8 25.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 118.35 19.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.98 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.725 HG22 HG22 ' A' ' 89' ' ' ILE . 12.2 t -82.02 128.71 38.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.005 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB2' HH11 ' A' ' 90' ' ' ARG . . . -113.5 -32.14 6.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.313 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.2 ttm -145.64 147.9 32.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 111.244 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.864 ' O ' HG12 ' A' ' 64' ' ' VAL . 60.9 t -140.19 119.31 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 179.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t30 53.64 31.85 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.361 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.77 -26.25 24.81 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 113.381 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.864 HG12 ' O ' ' A' ' 61' ' ' VAL . 12.0 p -86.23 145.28 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 117.008 0.404 . . . . 0.0 111.542 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -76.44 143.06 40.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.596 ' CG ' HG23 ' A' ' 61' ' ' VAL . 15.2 mmt -108.95 28.73 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.081 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.72 21.73 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -179.34 38.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.404 ' CA ' ' HG2' ' A' ' 25' ' ' ARG . 30.7 m -128.53 147.88 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -74.11 153.63 39.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.685 ' O ' HG23 ' A' ' 75' ' ' VAL . 12.9 t60 -49.84 -55.15 15.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.63 -40.45 92.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -36.7 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.757 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.31 -46.65 48.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 71' ' ' HIS . 21.2 t -58.28 -42.47 83.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.279 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -68.02 -27.99 67.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.025 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.646 ' HG3' HG11 ' A' ' 64' ' ' VAL . 10.2 mm100 -69.73 -50.16 46.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.506 HD13 ' CD2' ' A' ' 17' ' ' PHE . 3.5 pp -72.67 -31.2 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.771 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -67.61 -24.87 65.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.093 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -23.91 67.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.226 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.1 m -57.48 -79.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.713 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.95 -28.7 10.78 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.662 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -167.19 32.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 110.81 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.13 76.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.795 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.28 113.59 26.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.414 ' O ' HD13 ' A' ' 87' ' ' ILE . 9.5 pttt -95.7 139.51 31.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.749 ' CD1' HG13 ' A' ' 61' ' ' VAL . 20.6 mm -124.83 129.35 73.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.256 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 4' ' ' GLN . 0.5 OUTLIER -98.52 121.8 40.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.54 179.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.725 HG22 HG22 ' A' ' 58' ' ' VAL . 2.8 pp -134.18 159.68 42.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.638 HH11 ' HB2' ' A' ' 59' ' ' ALA . 0.4 OUTLIER -135.91 139.68 43.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.43 . . . . 0.0 111.5 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.23 147.3 29.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.844 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HG2' ' CG ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -143.47 -40.46 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.301 179.599 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 tttp . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.186 -0.911 . . . . 0.0 111.076 179.909 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.216 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.42 131.19 19.82 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.625 2.217 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 2.1 mt 60.55 32.15 20.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -154.78 -169.64 19.64 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.517 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 66.9 m -83.1 155.61 23.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.11 -172.4 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 61.36 53.36 3.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 27.0 mm -86.98 125.74 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.979 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 5.6 p90 -118.6 150.81 39.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.418 . . . . 0.0 111.209 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -112.96 154.19 26.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.475 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -107.4 127.15 53.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.885 0.374 . . . . 0.0 111.01 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -126.39 138.52 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.643 HG22 HG23 ' A' ' 88' ' ' THR . 20.3 p -114.74 120.7 40.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.785 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.7 p -122.74 152.75 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.22 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 86' ' ' LYS . 42.9 p -111.07 116.07 30.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.822 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.2 mt -106.07 115.84 30.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.036 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -77.21 120.27 22.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -58.76 121.68 11.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -113.43 159.21 36.13 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 15.3 Cg_endo -57.14 142.14 94.37 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.612 2.208 . . . . 0.0 112.145 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.56 -28.94 11.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.389 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.792 ' CG ' HD22 ' A' ' 43' ' ' LEU . 2.4 m-85 -160.26 -75.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.79 0.328 . . . . 0.0 110.81 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 122.16 -84.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.702 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 78' ' ' LEU . 1.2 t80 -59.69 -36.83 77.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.718 0.294 . . . . 0.0 110.989 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.581 ' HA3' ' HB3' ' A' ' 48' ' ' ALA . . . 93.65 -22.46 35.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.709 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.848 HG22 HG12 ' A' ' 42' ' ' VAL . 2.3 pp -139.33 172.51 12.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.868 0.366 . . . . 0.0 111.114 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.78 119.17 27.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.064 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.504 HD11 HG22 ' A' ' 75' ' ' VAL . 1.6 pt -77.75 166.3 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.86 134.02 11.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.486 ' HA3' HD12 ' A' ' 37' ' ' ILE . . . 151.52 -137.22 5.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.55 107.52 1.43 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.413 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -21.47 66.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.699 0.285 . . . . 0.0 111.187 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.23 28.84 3.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -79.64 144.91 61.66 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -50.66 -25.77 15.69 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.475 2.116 . . . . 0.0 112.318 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -127.42 126.76 42.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.929 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 4.2 p90 -131.76 159.79 37.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 35' ' ' THR . 0.1 OUTLIER -144.79 143.72 30.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 p -80.57 130.66 35.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.004 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.82 13.08 28.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.76 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -173.91 44.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.826 0.346 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 31' ' ' GLN . 3.2 p -96.54 34.88 1.57 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.011 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 p -114.69 150.07 35.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.767 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.486 HD12 ' HA3' ' A' ' 23' ' ' GLY . 1.6 tp -71.71 145.87 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.197 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.9 t -133.36 159.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.771 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.478 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.0 pp -77.72 121.35 30.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 0.0 111.298 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.05 -61.26 2.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.713 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -147.72 154.48 40.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.848 HG12 HG22 ' A' ' 19' ' ' ILE . 29.6 m -128.72 155.55 40.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.246 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.792 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -82.89 -31.18 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.924 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HG2' HG23 ' A' ' 42' ' ' VAL . 3.7 mttm 63.29 33.39 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -143.8 15.07 2.19 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.709 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.63 -157.0 8.38 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.4 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -68.21 -25.54 36.88 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.53 2.154 . . . . 0.0 112.406 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.822 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -107.37 28.69 7.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.296 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.87 -37.29 86.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.66 41.94 1.05 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.539 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -40.38 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.601 HD21 ' HB ' ' A' ' 87' ' ' ILE . 5.6 mp -118.44 125.77 50.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -149.0 173.59 13.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.57 -32.71 3.6 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -41.29 96.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.661 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.696 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.7 OUTLIER -92.78 87.61 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.718 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -60.18 132.03 52.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.669 ' HA ' HG22 ' A' ' 89' ' ' ILE . 23.8 t -82.07 139.03 18.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.53 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -125.26 -42.46 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.39 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 50.1 ttp -143.49 153.83 43.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.173 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 61' ' ' VAL . 11.5 p -142.01 123.86 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 51.22 32.28 7.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.95 -26.36 19.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.649 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.658 HG21 ' CD ' ' A' ' 77' ' ' GLN . 21.6 t -82.67 122.42 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.827 0.346 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -67.02 135.95 54.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.784 ' HE3' ' HB1' ' A' ' 74' ' ' ALA . 7.3 mtt -111.33 37.31 2.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.18 14.31 12.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.04 36.1 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.742 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 66' ' ' MET . 31.1 m -131.64 147.56 32.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.36 153.59 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.99 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.915 ' O ' HG23 ' A' ' 75' ' ' VAL . 38.2 t-80 -51.97 -48.99 64.11 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.17 88.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -60.93 -37.61 82.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.741 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.784 ' HB1' ' HE3' ' A' ' 66' ' ' MET . . . -73.44 -38.2 65.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.915 HG23 ' O ' ' A' ' 71' ' ' HIS . 20.8 t -67.33 -38.15 80.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.499 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -66.94 -28.59 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.083 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.658 ' CD ' HG21 ' A' ' 64' ' ' VAL . 20.8 mm100 -72.13 -50.08 30.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.38 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 75' ' ' VAL . 1.7 pp -67.84 -46.25 72.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.257 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.438 ' N ' HD12 ' A' ' 78' ' ' LEU . 21.3 ptt180 -66.33 -24.88 66.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.068 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -63.76 -24.7 67.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.074 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 m -54.41 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.807 0.337 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.56 -38.19 3.44 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.659 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.63 31.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -177.5 70.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.628 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.415 ' HB1' ' HE1' ' A' ' 17' ' ' PHE . . . -104.4 112.62 25.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.022 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.563 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.18 139.47 31.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.889 -179.846 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.601 ' HB ' HD21 ' A' ' 52' ' ' LEU . 3.5 mp -128.28 131.71 68.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.313 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.643 HG23 HG22 ' A' ' 6' ' ' THR . 22.8 m -98.61 118.7 35.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.519 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.696 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.6 pp -130.63 162.32 38.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 111.321 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.53 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -136.38 146.01 46.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.835 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.01 138.22 22.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.41 -36.79 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.841 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.92 79.98 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.553 2.168 . . . . 0.0 112.237 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.56 -56.79 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 58.71 106.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.514 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.8 t -155.92 -45.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 111.053 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -144.94 -161.05 1.22 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.743 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 75.74 78.6 0.1 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.4 mm -109.77 123.21 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.717 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 40.0 p90 -96.8 130.23 44.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.253 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.546 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 1.5 tt0 -118.6 154.27 32.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.278 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.609 ' NE2' ' HB3' ' A' ' 59' ' ' ALA . 41.2 tt0 -106.62 134.55 49.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.094 0.473 . . . . 0.0 111.443 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -133.02 138.79 46.92 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.44 119.15 38.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.512 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -124.24 152.52 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.312 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.474 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 9.7 t -110.9 114.02 27.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD13 ' HB2' ' A' ' 48' ' ' ALA . 10.2 mt -106.09 115.68 30.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -77.51 120.4 22.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.768 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -57.92 130.68 47.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.65 147.42 38.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.078 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.32 157.01 9.66 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.501 2.134 . . . . 0.0 112.28 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.61 -52.19 3.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.556 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.805 ' CD1' HD13 ' A' ' 43' ' ' LEU . 58.2 m-85 -111.79 -73.38 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.25 -101.2 0.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.695 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -64.09 -37.04 85.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.556 ' CA ' HD21 ' A' ' 43' ' ' LEU . . . 92.5 -19.9 47.7 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.768 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.995 HG22 HG12 ' A' ' 42' ' ' VAL . 1.5 pt -138.77 172.71 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.802 0.335 . . . . 0.0 111.158 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -120.44 118.12 29.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.575 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -81.99 157.63 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.98 133.82 13.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.21 -144.45 10.67 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.81 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 124.42 89.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.957 -0.639 . . . . 0.0 112.372 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' CB ' ' HA ' ' A' ' 68' ' ' ASN . 1.0 OUTLIER -71.62 -34.05 69.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.706 0.288 . . . . 0.0 111.39 -179.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -93.96 39.19 1.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.276 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.54 156.91 38.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.752 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.79 47.45 2.57 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.742 2.295 . . . . 0.0 112.603 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.15 159.04 44.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.747 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.27 135.0 47.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -151.97 124.53 8.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.797 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.93 128.1 35.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.06 -7.05 32.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.965 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -152.19 33.17 0.52 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.736 0.303 . . . . 0.0 110.98 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.84 -31.41 68.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.9 p -90.27 179.51 5.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.617 HD12 ' N ' ' A' ' 37' ' ' ILE . 2.5 mp -88.4 113.9 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -121.68 166.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.127 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.415 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -84.67 115.13 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 m -70.64 -61.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.963 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.12 154.87 42.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.995 HG12 HG22 ' A' ' 19' ' ' ILE . 28.2 m -123.53 148.98 27.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.805 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -75.05 -29.17 60.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.008 179.916 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.9 mtpt 65.19 31.24 10.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.49 16.55 2.26 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.711 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.18 -171.06 12.46 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.451 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.78 -30.09 45.35 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.543 2.162 . . . . 0.0 112.4 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.71 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -109.44 32.12 5.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -31.85 61.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.68 27.07 1.33 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.572 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -94.23 -43.63 8.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.573 HD22 HG21 ' A' ' 89' ' ' ILE . 10.2 mt -118.6 121.01 39.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.47 173.68 12.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -51.23 -29.95 15.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -67.61 -29.91 69.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.805 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.697 ' HB3' HD13 ' A' ' 89' ' ' ILE . 2.6 m-20 -100.97 116.25 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 134.93 35.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.528 HG22 HG22 ' A' ' 89' ' ' ILE . 3.4 t -91.35 131.73 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.993 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.609 ' HB3' ' NE2' ' A' ' 4' ' ' GLN . . . -111.01 -30.19 7.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 32.0 ttm -156.2 153.63 29.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 61' ' ' VAL . 11.6 p -141.82 119.34 8.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 54.33 32.44 16.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.04 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.65 -0.17 82.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.874 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.1 t -100.98 126.61 54.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.07 131.71 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.471 ' HE3' ' HB1' ' A' ' 74' ' ' ALA . 12.9 mmt -104.72 25.18 10.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.099 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -124.76 21.44 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.994 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 25' ' ' ARG . 15.0 p30 176.11 52.88 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.896 0.379 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.412 HG21 ' CE ' ' A' ' 66' ' ' MET . 20.3 m -142.82 144.97 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.289 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.79 153.69 42.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.568 ' O ' HG12 ' A' ' 75' ' ' VAL . 86.4 t60 -59.17 -38.34 79.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.718 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.46 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -70.87 -36.38 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -72.35 -37.51 68.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' HB1' ' HE3' ' A' ' 66' ' ' MET . . . -73.38 -40.25 64.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.205 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 71' ' ' HIS . 12.2 p -71.98 -46.51 59.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.585 -179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.498 ' N ' HG13 ' A' ' 75' ' ' VAL . 1.5 pp0? -59.94 -33.46 71.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.768 0.318 . . . . 0.0 111.088 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -50.02 31.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.2 pp -66.81 -30.52 70.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.199 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.702 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -69.77 -24.9 63.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.223 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 33.2 mttt -63.87 -17.2 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.303 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.534 ' CB ' ' HB2' ' A' ' 85' ' ' ALA . 66.7 m -52.14 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.758 0.313 . . . . 0.0 111.096 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.18 -40.51 2.52 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.504 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.75 31.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.791 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -177.98 70.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HB2' ' CB ' ' A' ' 81' ' ' SER . . . -103.65 109.0 20.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.022 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 2.8 ptmt -94.36 133.49 37.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.885 0.374 . . . . 0.0 110.757 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.566 HD13 HD11 ' A' ' 52' ' ' LEU . 2.8 mp -130.8 137.19 56.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.325 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.502 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.4 120.72 39.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.249 179.532 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.5 pp -133.48 168.99 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.39 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.551 ' HG3' ' HA ' ' A' ' 4' ' ' GLN . 0.4 OUTLIER -132.45 138.3 47.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.258 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.03 157.32 43.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.709 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -129.23 -43.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.988 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.8 tttt . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.171 -0.918 . . . . 0.0 110.841 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.129 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.33 149.2 23.45 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.574 2.183 . . . . 0.0 112.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.15 122.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -64.83 140.52 42.39 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 70.6 m -140.6 141.61 35.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.814 0.34 . . . . 0.0 111.015 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.69 118.32 31.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -110.32 47.04 0.99 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 20.7 pt -100.28 123.95 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.764 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 25.5 p90 -109.88 143.45 39.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.077 0.465 . . . . 0.0 111.316 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -113.63 154.67 26.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.358 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -107.0 127.13 53.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.95 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -129.23 139.18 51.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.627 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -103.71 122.26 44.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.365 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.3 m -115.89 153.14 17.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.55 -179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.1 t -122.68 112.46 17.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.851 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 87' ' ' ILE . 1.4 mt -105.93 116.71 32.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -76.38 104.51 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.786 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 16' ' ' GLY . 38.4 mtp180 -47.78 116.59 1.53 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.544 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.65 155.75 41.68 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.886 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.54 148.67 14.83 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.665 2.243 . . . . 0.0 112.465 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.414 ' O ' ' CG ' ' A' ' 15' ' ' PHE . . . 94.44 -44.83 2.24 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.552 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CG ' ' O ' ' A' ' 14' ' ' GLY . 15.8 m-85 -168.22 73.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.997 0.427 . . . . 0.0 110.309 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 11' ' ' ARG . . . -39.83 -54.59 2.92 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.494 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.703 ' CE1' HD22 ' A' ' 78' ' ' LEU . 5.9 t80 -70.15 -37.44 75.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.787 0.327 . . . . 0.0 111.057 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.599 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 66.97 5.72 34.19 Favored Glycine 0 CA--C 1.521 0.406 0 C-N-CA 120.741 -0.742 . . . . 0.0 113.265 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.993 HG23 HG12 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -136.49 165.05 29.68 Favored 'Isoleucine or valine' 0 C--O 1.231 0.109 0 CA-C-N 117.111 0.455 . . . . 0.0 110.959 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' H ' HG22 ' A' ' 19' ' ' ILE . . . -113.52 118.0 33.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.7 mp -78.66 136.54 23.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.495 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.48 133.91 37.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.71 -98.04 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 72.78 110.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.559 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.4 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -66.13 -30.73 71.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.867 0.365 . . . . 0.0 110.988 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -110.34 33.1 4.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.94 157.22 79.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.775 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.32 -26.47 27.51 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.498 2.132 . . . . 0.0 112.37 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -105.1 159.5 15.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -126.84 147.69 50.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.719 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -150.57 146.0 26.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.4 m -112.13 143.16 43.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.02 13.0 75.62 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.752 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -167.54 35.36 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.36 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.25 -30.33 62.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 p -60.92 166.29 3.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 37' ' ' ILE . 3.9 mp -87.16 149.12 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.034 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 39' ' ' ILE . 10.9 t -142.2 162.05 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.611 HG23 HG22 ' A' ' 19' ' ' ILE . 3.8 mp -81.44 122.19 36.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -79.39 -51.25 9.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.815 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.14 152.51 7.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.993 HG12 HG23 ' A' ' 19' ' ' ILE . 28.9 m -116.17 136.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.327 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.599 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -59.51 -21.22 59.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.955 179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt 62.36 30.15 17.35 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.757 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -146.03 16.68 1.74 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.665 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.9 -154.94 8.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.378 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -72.11 -26.51 18.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.48 2.12 . . . . 0.0 112.38 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB3' HG13 ' A' ' 19' ' ' ILE . . . -111.09 26.16 10.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.388 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -51.67 -33.55 34.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.221 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.67 53.19 0.6 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.456 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -133.98 -49.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.769 0.318 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.651 HD23 HG21 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -105.66 124.51 49.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.796 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.518 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -151.7 173.72 14.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.029 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -54.2 -33.6 58.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -58.57 -30.3 67.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -105.91 119.45 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.633 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -83.65 136.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.87 138.93 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.002 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -119.81 -50.07 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.231 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 12.4 ttm -139.08 149.25 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.01 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.879 HG22 HG23 ' A' ' 87' ' ' ILE . 25.6 t -135.46 119.36 25.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 53.25 32.38 13.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.4 -26.23 20.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.6 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.432 HG21 ' OE1' ' A' ' 77' ' ' GLN . 25.6 t -77.24 139.34 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.039 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.88 138.15 39.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.6 ' HG3' HG23 ' A' ' 61' ' ' VAL . 23.0 mmm -110.13 35.75 3.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -105.23 -9.96 17.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.542 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -167.77 68.7 0.08 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.935 0.398 . . . . 0.0 111.2 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.4 ' CA ' ' HG2' ' A' ' 25' ' ' ARG . 27.0 m -142.93 142.25 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG2' ' HB2' ' A' ' 73' ' ' PHE . 8.3 pt-20 -73.8 147.86 43.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.363 . . . . 0.0 110.824 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -43.31 -49.21 6.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.669 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.85 -43.74 69.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.355 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.433 ' HB2' ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -68.92 -35.37 76.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.93 -39.89 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.89 -39.54 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.328 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 6.3 pt20 -68.2 -37.06 80.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.432 ' OE1' HG21 ' A' ' 64' ' ' VAL . 51.0 mm-40 -60.61 -50.14 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.703 HD22 ' CE1' ' A' ' 17' ' ' PHE . 4.3 pp -72.34 -31.24 65.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.739 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.507 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -64.84 -25.93 68.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -63.87 -26.7 68.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.8 m -54.66 -74.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.11 -30.35 8.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.582 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.19 32.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 179.26 72.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.37 109.16 21.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -95.0 137.08 34.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 111.249 -179.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.879 HG23 HG22 ' A' ' 61' ' ' VAL . 4.2 mp -130.79 138.05 54.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.881 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.627 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.3 115.81 29.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.692 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.651 HG21 HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -126.35 155.32 36.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.287 -179.702 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.92 147.3 51.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HD3' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -148.14 156.37 42.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -129.45 -42.88 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.067 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.616 ' C ' HD22 ' A' ' -5' ' ' LEU . 56.0 Cg_endo -70.17 -179.4 3.07 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.57 2.18 . . . . 0.0 112.358 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . 0.616 HD22 ' C ' ' A' ' -6' ' ' PRO . 3.5 mm? -116.24 92.26 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -132.07 67.36 0.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.547 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 3.8 p -91.71 -35.55 14.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.338 . . . . 0.0 110.827 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -169.33 148.13 3.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.409 ' CD2' ' HE2' ' A' ' 92' ' ' LYS . 32.6 m170 60.22 66.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.794 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.6 mt -71.2 123.06 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.041 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.439 ' CD1' ' HG2' ' A' ' 92' ' ' LYS . 24.6 m-90 -97.93 140.93 31.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 7.4 mt-10 -112.94 132.97 55.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.019 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.653 ' HG2' HG22 ' A' ' 88' ' ' THR . 16.6 tt0 -106.63 129.25 54.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.16 0.505 . . . . 0.0 111.727 -178.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -132.41 138.69 47.76 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.783 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 t -104.57 127.01 52.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.68 153.14 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 2.9 t -108.98 114.59 28.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.529 HD11 HD11 ' A' ' 52' ' ' LEU . 2.0 mt -106.1 111.65 24.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.004 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -77.4 118.61 20.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.745 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -58.33 147.99 29.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -127.68 159.13 67.7 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 34.5 Cg_endo -64.45 146.74 90.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.53 2.154 . . . . 0.0 112.3 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 95.56 -47.56 1.9 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -71.59 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 110.686 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.95 -94.37 0.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.62 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -37.22 77.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.741 0.305 . . . . 0.0 111.082 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 80.55 -8.42 54.56 Favored Glycine 0 CA--C 1.521 0.408 0 C-N-CA 120.708 -0.758 . . . . 0.0 113.279 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.99 HG22 HG12 ' A' ' 42' ' ' VAL . 1.1 pt -140.46 166.35 19.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.997 0.399 . . . . 0.0 111.198 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 118.29 34.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.57 ' H ' HD12 ' A' ' 21' ' ' ILE . 3.9 mp -81.35 135.69 24.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -133.24 146.02 51.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 131.35 -146.42 17.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.543 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.0 116.88 2.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -29.3 64.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 111.106 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.32 34.0 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 163.28 64.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.774 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.93 -26.78 51.28 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.535 2.157 . . . . 0.0 112.297 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -108.13 157.24 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -126.51 136.55 52.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -143.56 146.07 33.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 p -100.52 121.88 42.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.53 13.11 27.0 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.732 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -156.57 29.64 0.33 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.74 0.305 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 37.0 p -71.37 -19.08 62.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.9 p -76.51 161.8 28.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.858 0.361 . . . . 0.0 110.945 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.913 HD11 HG23 ' A' ' 69' ' ' VAL . 25.8 mt -89.34 143.89 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 39' ' ' ILE . 10.0 p -140.79 158.44 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.095 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.493 ' N ' HG22 ' A' ' 38' ' ' VAL . 26.2 mm -78.51 122.06 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.02 -61.98 1.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.39 154.89 42.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.748 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.99 HG12 HG22 ' A' ' 19' ' ' ILE . 34.6 m -129.95 135.64 60.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.377 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.676 HD12 ' H ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -60.3 -26.9 66.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.997 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.4 tptt 67.32 29.18 7.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.793 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.676 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -142.96 13.88 2.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.682 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -121.7 -164.2 12.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.41 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.34 -27.47 85.08 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.634 2.223 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.94 36.43 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.22 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -56.48 -39.16 72.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.997 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.78 35.44 1.93 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.446 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -108.47 -37.97 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.529 HD11 HD11 ' A' ' 9' ' ' LEU . 55.2 mt -120.86 131.71 54.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.73 173.81 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -52.57 -30.24 29.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.27 -28.03 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.408 ' HB3' ' HB ' ' A' ' 89' ' ' ILE . 0.5 OUTLIER -96.82 116.64 29.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.749 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.5 ttp85 -84.09 114.21 21.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.198 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.687 HG22 ' CG2' ' A' ' 89' ' ' ILE . 31.1 t -75.99 130.97 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.752 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -122.62 -15.36 7.54 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 4.0 ttm -159.02 144.1 15.98 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.945 0.402 . . . . 0.0 111.517 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.877 HG22 HG23 ' A' ' 87' ' ' ILE . 85.5 t -140.27 120.08 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.587 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 58.68 32.29 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.77 -17.12 56.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.881 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.619 HG21 ' CG ' ' A' ' 77' ' ' GLN . 21.3 t -88.1 135.85 24.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.875 0.369 . . . . 0.0 111.142 -179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -65.36 143.02 58.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.754 ' HG3' HG23 ' A' ' 61' ' ' VAL . 17.8 mmt -121.73 27.48 8.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -114.04 21.81 14.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.012 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 176.78 39.39 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.765 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.913 HG23 HD11 ' A' ' 37' ' ' ILE . 28.0 m -129.71 158.03 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -73.61 153.52 40.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.801 ' O ' HG23 ' A' ' 75' ' ' VAL . 32.6 p-80 -54.47 -50.03 68.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.13 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.52 -39.28 81.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.455 ' CB ' HD13 ' A' ' 37' ' ' ILE . . . -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.278 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 71' ' ' HIS . 21.4 t -72.04 -38.99 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.45 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -66.29 -28.0 68.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.619 ' CG ' HG21 ' A' ' 64' ' ' VAL . 1.0 OUTLIER -67.71 -50.34 58.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.977 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.3 pp -72.78 -31.36 64.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.961 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.519 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.5 ttt-85 -65.48 -28.66 69.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.8 -27.27 69.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.003 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.7 m -59.08 -72.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.81 -28.71 12.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.535 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -166.47 31.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.364 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m120 178.97 72.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.668 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.49 110.76 23.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -90.23 134.9 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.967 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.877 HG23 HG22 ' A' ' 61' ' ' VAL . 40.8 mt -130.85 127.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.989 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.653 HG22 ' HG2' ' A' ' 4' ' ' GLN . 1.4 m -98.47 133.44 42.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.7 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.687 ' CG2' HG22 ' A' ' 58' ' ' VAL . 1.9 pp -139.15 166.39 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.1 OUTLIER -136.3 137.79 41.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.952 0.406 . . . . 0.0 111.43 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.663 ' HD2' HD13 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -146.41 138.06 24.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.462 179.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.439 ' HG2' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -124.09 -37.49 2.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.118 179.818 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.306 -0.854 . . . . 0.0 110.969 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.94 -168.03 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.577 2.185 . . . . 0.0 112.297 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.07 30.0 1.31 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 58.06 104.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.69 -45.21 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -132.28 149.12 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -158.39 28.13 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.1 mt -103.36 128.06 56.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.967 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.425 ' HB3' ' HG2' ' A' ' 92' ' ' LYS . 2.5 p90 -109.99 143.23 40.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.053 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.603 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -112.98 144.04 43.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.901 179.397 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.722 ' HG2' HG22 ' A' ' 88' ' ' THR . 13.8 tt0 -106.95 133.58 51.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.16 0.505 . . . . 0.0 111.651 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.6 m80 -133.07 139.0 46.92 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.847 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.763 HG23 ' OG1' ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.65 119.03 38.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.67 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.32 139.23 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 8' ' ' THR . 11.6 t -95.27 116.83 29.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 48' ' ' ALA . 26.3 mt -106.03 115.21 29.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -75.58 117.09 16.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -59.23 128.76 38.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -119.93 159.15 48.02 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 32.3 Cg_endo -63.95 142.61 82.4 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.633 2.222 . . . . 0.0 112.28 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.49 -28.5 15.72 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.83 ' CG ' HD13 ' A' ' 43' ' ' LEU . 66.7 m-85 -144.47 -69.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.33 -101.58 1.8 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.732 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.8 OUTLIER -59.44 -37.19 77.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.72 0.295 . . . . 0.0 111.088 -179.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.734 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 87.45 -19.18 33.49 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.646 -0.788 . . . . 0.0 113.098 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.026 HG22 HG12 ' A' ' 42' ' ' VAL . 1.0 OUTLIER -130.87 172.3 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 111.255 -179.765 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.82 131.66 47.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG2' HG21 ' A' ' 37' ' ' ILE . 29.7 mm -79.59 141.44 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.066 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.77 134.01 27.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.37 -135.42 9.58 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.46 135.92 4.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HG2' ' CA ' ' A' ' 69' ' ' VAL . 3.9 ptt180 -71.54 -27.04 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.715 0.293 . . . . 0.0 111.104 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -100.58 24.47 8.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -88.8 171.21 9.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.57 7.29 4.59 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.699 2.266 . . . . 0.0 112.998 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -104.29 158.18 16.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.775 0.321 . . . . 0.0 110.794 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.59 140.58 52.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -147.52 117.52 7.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.716 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 t -104.09 124.96 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 120.17 1.99 12.48 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.851 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.1 -55.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.749 0.309 . . . . 0.0 110.837 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 55.22 41.12 31.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 p -98.54 171.62 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.628 HD11 ' O ' ' A' ' 69' ' ' VAL . 20.5 mm -83.35 155.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.196 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.402 ' N ' HG22 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -128.6 166.09 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.137 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 23.1 mm -87.13 117.8 31.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.954 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -163.29 154.88 17.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.026 HG12 HG22 ' A' ' 19' ' ' ILE . 29.8 m -122.13 143.64 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.349 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.83 HD13 ' CG ' ' A' ' 15' ' ' PHE . 0.2 OUTLIER -67.37 -26.82 66.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.975 179.775 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 67.33 30.65 6.92 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.871 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.44 18.97 1.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.726 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.94 -168.38 11.3 Favored Glycine 0 C--N 1.331 0.288 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.513 ' O ' HD22 ' A' ' 9' ' ' LEU . 58.3 Cg_exo -51.56 -28.0 27.21 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.54 2.16 . . . . 0.0 112.328 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -112.11 33.96 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -57.54 -48.67 78.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.04 33.36 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.588 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.31 -43.7 5.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.32 . . . . 0.0 110.788 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.927 ' HB2' HG21 ' A' ' 19' ' ' ILE . 2.1 mt -120.79 114.21 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.743 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -144.7 173.79 11.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -49.31 -30.65 7.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.14 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -67.45 -31.1 71.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.567 ' HB3' HD13 ' A' ' 89' ' ' ILE . 3.9 m-20 -100.05 115.81 30.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.657 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 ttm-85 -81.16 120.62 25.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.026 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.767 ' HA ' HG22 ' A' ' 89' ' ' ILE . 10.8 p -79.34 130.84 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.78 -26.54 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.444 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.1 ttt -149.74 149.45 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.965 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 87' ' ' ILE . 22.3 t -141.83 119.39 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 58.42 32.36 22.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.59 4.38 85.54 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.7 t -106.66 127.94 61.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.797 0.332 . . . . 0.0 111.06 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.95 143.03 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.475 ' CG ' HG23 ' A' ' 61' ' ' VAL . 23.8 mmt -114.54 30.19 7.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -111.23 16.98 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -178.96 37.84 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.789 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.628 ' O ' HD11 ' A' ' 37' ' ' ILE . 3.6 t -132.88 153.83 38.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.109 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -82.42 148.94 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.679 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.462 ' CD2' ' N ' ' A' ' 72' ' ' ALA . 9.6 p-80 -51.85 -38.32 55.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' CD2' ' A' ' 71' ' ' HIS . . . -65.03 -40.56 95.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.962 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.492 ' HB2' HG12 ' A' ' 69' ' ' VAL . 3.3 m-85 -67.73 -35.96 79.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.809 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.36 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.358 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 76' ' ' GLN . 11.8 p -65.29 -42.89 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.352 -179.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 75' ' ' VAL . 11.3 pt20 -60.51 -29.91 69.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.754 0.311 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -72.12 -50.16 30.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.844 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.1 pp -68.15 -30.69 69.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.996 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.844 ' N ' HD12 ' A' ' 78' ' ' LEU . 24.0 ttt180 -64.14 -28.65 69.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.974 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -68.01 -22.05 65.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.228 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.1 m -50.86 -75.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.166 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.12 -31.51 7.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -172.7 34.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -178.77 64.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -102.49 108.74 20.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.6 pttt -93.78 137.82 32.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.093 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.744 HD13 HD12 ' A' ' 9' ' ' LEU . 3.8 mp -130.98 129.82 63.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.106 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.763 ' OG1' HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.46 130.37 45.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.7 pp -143.1 166.88 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.441 -179.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.603 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -129.87 140.88 50.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.279 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.94 141.01 24.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.759 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.425 ' HG2' ' HB3' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -144.74 -42.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.156 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.8 tttt . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.886 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.54 -20.39 35.93 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.565 2.176 . . . . 0.0 112.384 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.28 142.13 37.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.971 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -154.98 -66.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.244 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.33 176.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.876 0.369 . . . . 0.0 111.196 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' -1' ' ' HIS . 0.8 OUTLIER -63.28 -146.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.666 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' -2' ' ' ASP . 47.4 m80 65.53 36.99 6.27 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 120.889 0.376 . . . . 0.0 111.045 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.8 mm -111.86 119.98 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.706 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 45.3 p90 -101.83 151.7 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.268 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 26.2 mm-40 -122.2 150.41 42.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.283 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.581 ' HG2' HG22 ' A' ' 88' ' ' THR . 7.1 tt0 -106.89 126.9 52.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.012 0.434 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -129.87 138.77 51.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.649 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.69 ' HB ' HG23 ' A' ' 88' ' ' THR . 11.2 t -108.2 115.11 29.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.54 179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 t -113.24 150.26 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 7.1 m -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.585 HD13 ' HB2' ' A' ' 48' ' ' ALA . 13.8 mt -106.29 116.64 32.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 p-80 -65.09 116.19 6.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -58.2 145.64 36.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.972 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -133.08 136.72 28.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.178 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.94 159.96 6.6 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.451 2.101 . . . . 0.0 112.188 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.93 -54.37 4.74 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.51 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.697 ' CD1' HD22 ' A' ' 43' ' ' LEU . 41.1 m-85 -104.59 -70.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.845 0.355 . . . . 0.0 110.827 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.76 -96.77 0.29 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.575 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.665 ' CE1' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -98.14 -26.99 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.677 0.275 . . . . 0.0 110.952 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.564 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 114.69 -20.08 15.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.645 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.056 HG22 HG12 ' A' ' 42' ' ' VAL . 2.7 pt -127.97 172.53 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.41 118.19 33.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 tt -72.91 133.29 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.429 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.477 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -133.57 133.88 42.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.93 -166.4 25.96 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.574 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.88 114.7 0.94 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.62 -35.16 70.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 111.134 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -103.24 40.32 1.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.05 163.63 18.36 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.87 -11.82 33.33 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.603 2.202 . . . . 0.0 112.593 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -104.43 159.47 15.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -126.41 144.54 50.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -139.17 133.91 32.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.17 130.13 56.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.98 -6.98 12.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.839 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -156.77 -54.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.775 0.322 . . . . 0.0 110.944 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.9 p 53.19 34.6 17.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.062 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.4 p -128.12 -174.61 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.69 HD12 ' SD ' ' A' ' 66' ' ' MET . 33.4 mt -103.49 138.16 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.069 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.525 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.5 p -142.04 161.28 20.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.525 ' N ' HG22 ' A' ' 38' ' ' VAL . 2.9 mp -74.33 123.61 30.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.976 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.28 -46.57 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -151.53 154.93 37.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.056 HG12 HG22 ' A' ' 19' ' ' ILE . 32.1 m -130.39 151.4 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.258 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -77.41 -29.22 52.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.953 179.803 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.9 mttm 64.49 33.16 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.733 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -147.58 16.62 1.44 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.723 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.73 -156.09 8.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.427 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.37 -30.91 29.24 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.539 2.159 . . . . 0.0 112.156 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.585 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -104.78 28.93 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.206 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.01 -39.41 78.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.2 32.19 2.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.527 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -109.31 -38.0 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.661 HD23 HG21 ' A' ' 89' ' ' ILE . 5.7 mt -120.94 123.85 43.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' N ' HD13 ' A' ' 39' ' ' ILE . 1.1 pt20 -146.68 173.64 12.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -54.25 -35.19 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.012 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -31.71 70.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.497 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -96.67 107.7 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.79 179.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.81 134.89 40.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.942 HG11 ' HE2' ' A' ' 66' ' ' MET . 18.2 t -87.12 132.56 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.989 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.578 ' HB2' ' HD2' ' A' ' 90' ' ' ARG . . . -114.86 -35.04 4.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.362 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 44.4 ttm -152.95 147.41 25.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.906 HG12 HG23 ' A' ' 87' ' ' ILE . 15.7 m -136.97 125.52 34.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 t30 51.49 31.87 8.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.434 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.67 -26.29 22.66 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.717 -0.754 . . . . 0.0 113.403 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.872 HG12 ' O ' ' A' ' 61' ' ' VAL . 11.8 p -85.55 145.12 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.455 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.5 t -73.75 142.96 46.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.942 ' HE2' HG11 ' A' ' 58' ' ' VAL . 2.9 mmm -117.17 25.21 10.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -121.0 24.92 9.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 178.88 42.74 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.686 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.624 HG23 HD11 ' A' ' 37' ' ' ILE . 29.7 m -141.36 153.08 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.199 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.28 153.68 33.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -52.97 -38.64 62.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.58 -45.66 89.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.247 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -66.77 -35.35 79.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -45.09 57.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.483 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 76' ' ' GLN . 14.5 p -66.16 -42.7 91.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.498 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 75' ' ' VAL . 14.2 pt20 -60.99 -35.03 75.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.965 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -70.14 -50.09 43.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.925 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.665 HD13 ' CE1' ' A' ' 17' ' ' PHE . 4.4 pp -69.65 -30.67 68.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.639 ' N ' HD12 ' A' ' 78' ' ' LEU . 20.9 mtm180 -69.1 -25.09 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.033 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.67 -23.37 67.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.216 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.7 m -54.33 -79.52 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.051 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.71 -29.75 8.76 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.625 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -167.89 31.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.762 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 m120 178.32 79.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.392 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.81 110.62 21.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.962 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -95.82 132.35 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.989 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.906 HG23 HG12 ' A' ' 61' ' ' VAL . 38.2 mt -124.05 131.85 72.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.154 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.69 HG23 ' HB ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.47 120.46 38.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.326 179.583 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.661 HG21 HD23 ' A' ' 52' ' ' LEU . 2.8 pp -132.04 164.59 34.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.349 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.578 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -135.21 148.92 49.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.266 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.52 158.3 43.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.768 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.95 -50.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -51.38 -26.31 20.8 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.565 2.177 . . . . 0.0 112.302 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.89 99.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 164.68 49.21 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.551 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.606 ' O ' HG22 ' A' ' 1' ' ' ILE . 0.8 OUTLIER -147.03 119.95 8.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.97 -24.58 23.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.059 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -1.08 38.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.499 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' -3' ' ' SER . 1.0 OUTLIER -70.53 133.0 32.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.79 0.328 . . . . 0.0 110.876 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.49 144.39 31.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.811 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.629 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 2.3 tt0 -112.93 154.18 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.585 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.548 ' HA ' ' HG3' ' A' ' 90' ' ' ARG . 50.8 tt0 -106.36 127.4 53.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.109 0.481 . . . . 0.0 111.279 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -131.58 139.01 49.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.93 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.749 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -104.28 124.78 49.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.797 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.6 t -121.59 142.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 86' ' ' LYS . 0.9 OUTLIER -99.66 116.08 30.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.066 -179.881 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' HB2' ' A' ' 48' ' ' ALA . 2.4 mt -106.06 115.49 30.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -73.69 122.59 22.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -63.66 144.38 57.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.96 142.84 34.07 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.27 146.51 60.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.457 2.104 . . . . 0.0 112.276 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.16 -61.28 4.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.626 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -83.38 -70.16 0.58 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.22 -109.23 1.47 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.2 OUTLIER -80.68 -27.57 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.711 0.291 . . . . 0.0 110.915 179.855 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.468 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 91.9 -20.56 41.68 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.691 -0.766 . . . . 0.0 113.077 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.689 HG22 ' CG1' ' A' ' 42' ' ' VAL . 1.1 pt -119.28 172.51 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.37 . . . . 0.0 111.361 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -128.44 118.18 22.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.508 ' C ' HD12 ' A' ' 21' ' ' ILE . 2.6 pp -77.81 152.03 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.251 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.84 134.03 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.76 -140.01 8.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.96 122.65 2.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -28.14 64.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.71 0.291 . . . . 0.0 111.038 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -98.69 30.2 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -87.32 149.73 47.62 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.32 -22.91 21.93 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.6 2.2 . . . . 0.0 112.442 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.2 m170 -104.37 146.21 29.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.963 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -143.96 139.31 29.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.778 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -147.24 137.68 23.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.34 123.71 29.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.779 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.47 13.09 36.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.709 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -168.18 44.99 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.915 0.388 . . . . 0.0 110.716 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.8 p -95.66 37.93 1.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.045 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 79.1 p -122.36 159.67 27.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.72 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.791 HD11 HG23 ' A' ' 69' ' ' VAL . 3.7 mp -75.98 147.57 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.041 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 39' ' ' ILE . 11.4 p -141.27 159.15 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.554 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -75.0 113.04 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 p -72.34 -59.06 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.16 154.53 37.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.689 ' CG1' HG22 ' A' ' 19' ' ' ILE . 35.5 m -129.64 136.29 59.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.26 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 ' HA2' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -59.51 -24.63 63.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.996 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.89 31.95 11.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.776 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -148.3 17.2 1.32 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.748 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -125.08 -155.39 9.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.435 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.6 -27.11 22.87 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.557 2.172 . . . . 0.0 112.365 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.648 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -115.76 35.32 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.192 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -57.29 -37.83 73.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.09 31.54 2.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.612 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.94 -38.9 9.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.768 HD11 HD12 ' A' ' 87' ' ' ILE . 26.8 mt -121.0 133.24 55.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.473 ' N ' HD13 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -151.94 173.67 14.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -51.62 -30.43 21.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -64.58 -31.67 72.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.667 ' HB3' HD13 ' A' ' 89' ' ' ILE . 9.6 m-20 -95.53 113.81 25.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.694 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -82.96 116.68 22.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.843 ' HA ' HG22 ' A' ' 89' ' ' ILE . 21.2 t -75.99 123.2 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -114.67 -21.66 10.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.522 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 15.6 ttp -154.49 153.35 31.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.92 0.39 . . . . 0.0 111.073 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.489 HG13 ' O ' ' A' ' 61' ' ' VAL . 10.5 p -142.02 119.66 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.837 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 t30 53.74 32.21 14.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.68 -26.18 21.39 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.772 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.5 t -83.21 127.27 39.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.363 . . . . 0.0 111.323 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.5 m -56.86 143.03 38.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.79 ' SD ' HD13 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -115.96 31.31 6.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -124.31 26.29 7.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.028 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -178.67 38.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.791 HG23 HD11 ' A' ' 37' ' ' ILE . 12.6 m -134.69 154.54 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.74 153.64 39.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -54.24 -41.88 69.24 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -68.12 -45.81 72.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.436 ' HA ' ' HG2' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -60.12 -36.51 77.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.067 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.36 -53.42 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.545 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 72' ' ' ALA . 11.0 p -55.88 -40.88 64.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.472 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 73' ' ' PHE . 0.6 OUTLIER -67.5 -25.15 65.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.219 -179.806 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -50.46 29.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 111.052 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.92 -38.97 66.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.813 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 -64.99 -24.99 67.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -63.69 -22.16 66.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.093 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.8 m -54.3 -74.61 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.6 -33.89 6.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.566 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -165.1 31.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -179.41 69.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -100.92 108.1 19.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.582 ' HB3' HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -96.15 136.39 36.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 111.046 -179.794 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.768 HD12 HD11 ' A' ' 52' ' ' LEU . 36.3 mt -130.21 131.21 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.749 HG23 HG23 ' A' ' 6' ' ' THR . 0.2 OUTLIER -98.44 123.93 42.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.843 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.8 pp -136.04 159.68 38.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.455 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -121.26 133.72 55.15 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.034 0.445 . . . . 0.0 111.324 179.733 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.34 159.97 43.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.798 179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -54.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.948 179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.77 -28.02 25.71 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.596 2.198 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.98 -59.04 1.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . 173.87 136.55 2.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.528 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 37.5 m -83.46 -74.89 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.821 0.343 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.449 ' HB2' HG22 ' A' ' 1' ' ' ILE . 4.8 p-10 -176.92 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 57.24 30.08 17.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.0 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' A' ' -2' ' ' ASP . 1.6 tt -105.14 132.89 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.458 ' CE2' ' HG2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -98.88 137.23 37.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.626 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 59.2 tt0 -118.66 149.33 41.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.431 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.594 ' CB ' ' HG3' ' A' ' 90' ' ' ARG . 11.4 tt0 -106.28 137.49 44.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.256 0.55 . . . . 0.0 111.818 -179.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -133.15 138.79 46.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.497 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.536 HG23 HG23 ' A' ' 88' ' ' THR . 0.2 OUTLIER -107.03 121.7 44.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.97 143.0 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.208 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -98.5 116.71 31.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.808 HD13 ' HB2' ' A' ' 48' ' ' ALA . 14.3 mt -106.16 114.56 28.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -74.91 116.2 15.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.99 118.11 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.512 ' HB1' ' HD2' ' A' ' 13' ' ' PRO . . . -110.51 159.2 33.1 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.512 ' HD2' ' HB1' ' A' ' 12' ' ' ALA . 18.2 Cg_endo -59.38 148.13 88.02 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.566 2.178 . . . . 0.0 112.237 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.24 -34.72 5.54 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.385 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.763 ' CG ' HD22 ' A' ' 43' ' ' LEU . 3.3 m-85 -156.5 -56.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.98 -89.94 0.62 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.659 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.573 ' HD2' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -59.38 -37.07 77.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.701 0.286 . . . . 0.0 111.132 -179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.757 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 90.1 -22.04 28.01 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.709 -0.757 . . . . 0.0 113.056 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.022 HG22 HG12 ' A' ' 42' ' ' VAL . 1.5 pt -124.03 161.02 27.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 111.292 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.49 119.02 36.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.414 HD12 ' HB3' ' A' ' 74' ' ' ALA . 42.4 pt -82.1 136.28 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -124.17 133.95 53.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.8 -157.11 26.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.32 115.63 1.24 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.552 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -71.57 -35.86 70.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 0.0 111.066 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.61 34.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.2 161.21 49.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.12 -24.67 77.62 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.56 2.173 . . . . 0.0 112.164 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.56 142.14 44.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.764 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.46 134.95 50.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.944 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -138.66 133.14 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 p -88.91 132.33 34.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 94.1 13.13 55.37 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.771 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -161.58 44.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.883 0.373 . . . . 0.0 110.763 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.2 p -88.36 10.2 20.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.476 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.0 p -94.4 139.2 31.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.669 HG23 ' O ' ' A' ' 22' ' ' SER . 29.0 mt -79.05 132.06 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.068 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -122.16 160.62 23.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' H ' HD12 ' A' ' 39' ' ' ILE . 3.5 mp -76.71 110.23 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.66 -61.3 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -156.37 154.88 31.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 1.022 HG12 HG22 ' A' ' 19' ' ' ILE . 17.9 m -122.62 138.74 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.763 HD22 ' CG ' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -62.36 -25.82 68.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.869 ' HD3' HG23 ' A' ' 42' ' ' VAL . 0.1 OUTLIER 65.84 28.77 10.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.797 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.6 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -140.69 12.49 2.93 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.719 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.34 -171.47 12.88 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.435 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.5 -29.4 40.02 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.538 2.159 . . . . 0.0 112.372 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.808 ' HB2' HD13 ' A' ' 9' ' ' LEU . . . -103.7 25.27 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.301 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -58.98 -43.52 91.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -138.65 52.84 0.72 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.561 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -130.52 -46.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.916 ' HB2' HG21 ' A' ' 19' ' ' ILE . 33.6 mt -113.77 120.32 40.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -151.12 173.67 14.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -50.55 -29.46 10.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -27.75 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.93 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.787 ' HB3' HD13 ' A' ' 89' ' ' ILE . 3.9 m-20 -108.04 121.49 44.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.78 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.78 127.12 33.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.617 ' HA ' HG22 ' A' ' 89' ' ' ILE . 18.5 t -81.81 139.1 18.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB3' HE21 ' A' ' 4' ' ' GLN . . . -121.17 -43.27 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.201 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.4 ttp -146.74 152.47 38.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.993 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.093 HG22 HG23 ' A' ' 87' ' ' ILE . 47.4 t -141.97 121.99 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 53.85 31.88 14.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.38 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.73 -25.84 25.69 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 113.386 179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.891 HG12 ' O ' ' A' ' 61' ' ' VAL . 12.1 p -85.58 137.81 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.457 . . . . 0.0 111.575 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.4 p -77.19 143.2 39.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.48 ' SD ' HG11 ' A' ' 58' ' ' VAL . 8.7 mtt -110.45 29.16 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.46 10.89 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.149 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -179.57 46.54 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.665 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.664 HG23 HD11 ' A' ' 37' ' ' ILE . 13.9 m -134.0 152.39 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -77.65 153.54 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.904 ' O ' HG23 ' A' ' 75' ' ' VAL . 6.5 p80 -55.54 -47.07 76.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.752 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.92 -40.05 91.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.53 -37.46 87.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.725 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' HB3' HD12 ' A' ' 21' ' ' ILE . . . -73.36 -33.73 65.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 71' ' ' HIS . 38.7 t -69.17 -48.8 66.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -59.78 -29.68 68.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -72.04 -50.01 32.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.799 HD12 ' N ' ' A' ' 79' ' ' ARG . 4.4 pp -71.89 -30.69 65.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.799 ' N ' HD12 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -72.66 -25.67 61.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.79 -27.29 69.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.3 m -57.72 -68.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.881 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.61 -29.19 10.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -173.81 35.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -177.14 64.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.71 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.18 108.07 19.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -92.04 139.62 30.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.978 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.093 HG23 HG22 ' A' ' 61' ' ' VAL . 3.3 mp -130.79 133.4 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.03 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.536 HG23 HG23 ' A' ' 6' ' ' THR . 0.3 OUTLIER -98.46 127.98 44.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.637 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.787 HD13 ' HB3' ' A' ' 56' ' ' ASP . 2.8 pp -140.4 163.14 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.626 ' HA ' ' O ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -123.8 136.1 54.2 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 111.237 179.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.17 150.15 33.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.691 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.458 ' HG2' ' CE2' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -139.45 -37.35 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.273 179.868 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 mttp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.162 -0.923 . . . . 0.0 110.911 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' PRO . . . . . 0.484 ' O ' HD12 ' A' ' -5' ' ' LEU . 52.9 Cg_exo -52.65 178.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.552 2.168 . . . . 0.0 112.328 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' -6' ' ' PRO . 0.9 OUTLIER -147.17 145.5 29.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . -111.95 -27.26 4.08 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.434 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 71.9 m 60.22 77.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -141.72 136.15 30.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 11.5 m170 62.03 28.46 17.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 24.1 mt -114.15 119.66 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.605 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.4 ' CA ' ' HB3' ' A' ' 92' ' ' LYS . 65.8 p-90 -116.47 133.25 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.061 0.458 . . . . 0.0 111.572 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -115.6 140.5 49.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.047 179.324 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -107.36 127.61 53.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.986 0.422 . . . . 0.0 111.312 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.5 m80 -132.99 138.64 46.92 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.912 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.699 ' HB ' HG23 ' A' ' 88' ' ' THR . 2.3 t -116.53 118.03 31.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.703 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.628 HG21 ' OE1' ' A' ' 51' ' ' GLN . 21.6 t -118.66 149.14 21.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.222 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 86' ' ' LYS . 5.3 m -104.24 117.94 35.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.991 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.612 HD12 ' CD1' ' A' ' 87' ' ' ILE . 2.9 mt -106.28 115.04 29.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -76.68 121.52 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 17.2 mtp-105 -60.35 128.94 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.52 146.13 46.68 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.88 150.22 30.88 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.532 2.154 . . . . 0.0 112.327 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.81 -51.7 3.86 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.574 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.826 ' CD1' HD13 ' A' ' 43' ' ' LEU . 79.1 m-85 -106.47 -76.28 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.704 0.288 . . . . 0.0 110.92 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.95 -108.34 1.73 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.697 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 19' ' ' ILE . 0.5 OUTLIER -67.76 -35.74 79.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.121 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.763 ' HA2' HD21 ' A' ' 43' ' ' LEU . . . 94.4 -23.33 32.53 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.833 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.904 HG22 HG12 ' A' ' 42' ' ' VAL . 2.6 pp -130.69 156.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 111.218 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.39 132.28 55.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' HB ' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -91.08 162.55 2.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.93 134.05 19.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.7 -138.97 8.16 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.785 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.489 ' HA2' ' HA ' ' A' ' 70' ' ' GLU . . . 118.26 93.33 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.974 -0.631 . . . . 0.0 111.998 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.9 tpt85 -71.84 -32.08 67.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.7 0.285 . . . . 0.0 111.615 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -55.07 -25.03 28.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.996 -178.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' N ' ' HD2' ' A' ' 28' ' ' PRO . 1.1 t30 176.22 -54.55 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.235 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 27' ' ' ASN . 38.2 Cg_exo -33.13 -61.12 0.19 Allowed 'Trans proline' 0 C--N 1.349 0.597 0 C-N-CA 123.346 2.698 . . . . 0.0 113.83 -179.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.88 134.73 20.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.943 0.401 . . . . 0.0 111.495 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -143.01 134.9 26.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.679 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -149.99 137.17 19.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.061 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.2 t -72.84 120.01 17.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.94 -7.1 62.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.866 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -149.76 28.83 0.76 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.749 0.309 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.38 76.43 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.781 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.8 p -155.41 -178.19 7.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.448 HG21 ' HE1' ' A' ' 66' ' ' MET . 30.3 mm -103.26 143.76 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' N ' ' A' ' 39' ' ' ILE . 21.1 t -141.84 159.03 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.605 HD13 ' O ' ' A' ' 53' ' ' GLN . 3.8 mp -74.03 119.63 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.31 -54.49 4.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.27 154.93 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.837 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.904 HG12 HG22 ' A' ' 19' ' ' ILE . 21.1 m -131.11 137.37 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.289 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.826 HD13 ' CD1' ' A' ' 15' ' ' PHE . 0.3 OUTLIER -61.72 -27.89 69.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.912 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HG2' HG23 ' A' ' 42' ' ' VAL . 0.0 OUTLIER 61.71 28.22 17.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.731 ' H ' HD12 ' A' ' 43' ' ' LEU . . . -141.95 13.32 2.62 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.734 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.64 -158.09 9.52 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.41 -28.03 46.71 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.624 2.216 . . . . 0.0 112.211 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.636 ' CB ' HG23 ' A' ' 19' ' ' ILE . . . -110.15 32.32 5.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.026 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.59 76.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.036 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.32 28.94 2.06 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.628 ' OE1' HG21 ' A' ' 7' ' ' VAL . 0.9 OUTLIER -98.07 -39.37 8.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 110.792 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.796 ' HB2' HG21 ' A' ' 19' ' ' ILE . 15.8 mt -120.9 125.21 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.605 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -149.24 173.74 13.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.063 -179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -52.95 -33.73 52.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -59.4 -29.65 67.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.881 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.637 ' HB3' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -108.02 99.95 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.1 mtt85 -64.03 140.26 58.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.771 ' HA ' HG22 ' A' ' 89' ' ' ILE . 19.7 t -88.21 130.64 37.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.708 ' HB2' ' NE ' ' A' ' 90' ' ' ARG . . . -113.8 -36.28 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 33.0 ttp -149.85 149.34 30.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.085 HG12 HG23 ' A' ' 87' ' ' ILE . 13.5 m -138.3 119.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.892 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 56.23 32.3 20.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.38 4.47 80.56 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.987 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.464 HG21 ' HG2' ' A' ' 77' ' ' GLN . 21.5 t -109.74 131.2 61.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.861 0.362 . . . . 0.0 111.161 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.1 142.98 53.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.587 ' HG2' HG22 ' A' ' 61' ' ' VAL . 10.0 mmm -123.79 37.71 4.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.5 p-10 -119.85 22.75 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 t30 173.91 48.47 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.876 0.369 . . . . 0.0 110.738 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.6 m -132.15 152.97 37.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.42 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.489 ' HA ' ' HA2' ' A' ' 24' ' ' GLY . 23.3 tt0 -68.72 153.11 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.942 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.417 ' CE1' HG12 ' A' ' 21' ' ' ILE . 0.8 OUTLIER -57.78 -43.81 85.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.513 179.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' HA ' HG12 ' A' ' 75' ' ' VAL . . . -67.99 -38.09 82.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.976 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.33 -34.4 76.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.773 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.476 ' HB1' ' SD ' ' A' ' 66' ' ' MET . . . -73.37 -45.9 52.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.228 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.655 ' HB ' HD11 ' A' ' 21' ' ' ILE . 10.1 p -66.18 -44.96 91.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -64.9 -23.99 67.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.087 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.464 ' HG2' HG21 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -71.92 -50.17 31.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.839 0.352 . . . . 0.0 111.082 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.571 HD21 HD12 ' A' ' 21' ' ' ILE . 4.2 pp -72.38 -32.45 66.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.969 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.5 ttt180 -72.32 -25.01 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.919 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -19.53 65.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.401 ' HB2' ' HB2' ' A' ' 85' ' ' ALA . 6.5 m -52.62 -67.47 0.25 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.41 -43.23 1.76 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.582 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -166.74 32.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -176.86 65.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB2' ' HB2' ' A' ' 81' ' ' SER . . . -97.95 106.59 18.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.05 139.71 31.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.169 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.085 HG23 HG12 ' A' ' 61' ' ' VAL . 4.1 mp -129.89 131.51 66.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.225 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.699 HG23 ' HB ' ' A' ' 6' ' ' THR . 1.4 m -98.64 121.21 40.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.771 HG22 ' HA ' ' A' ' 58' ' ' VAL . 2.1 pp -129.03 165.66 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.459 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.708 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -137.09 147.36 46.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.68 145.3 38.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HB3' ' CA ' ' A' ' 2' ' ' TRP . 3.9 pttt -143.28 -38.34 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.078 179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.8 pttt . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.843 -179.879 . . . . . . . . 0 0 . 1 stop_ save_